N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine

C156H181Cl4F3N40O8S4 — CID 159913811

IUPACN-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1C(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1C(C)C.Cc1cc(S(=O)(=O)C2CC2)ccc1Nc1ncnc(C(C)C)c1C.Cc1ccc(Nc2ncnc(C(C)C)c2C)c(C)n1.Cc1ncccc1Nc1ncnc(C(C)C)c1C.[C-]#[N+]c1ccc(Nc2ncnc(C(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(C(C)C)c2C)c(F)c1
InChIInChI=1S/C18H23N3O2S.C17H20ClN3O2S.C16H17ClN6.C16H17FN6.C15H15ClN4.C15H18ClN3O2S.C15H15FN4.C15H18FN3O2S.C15H20N4.C14H18N4/c1-11(2)17-13(4)18(20-10-19-17)21-16-8-7-15(9-12(16)3)24(22,23)14-5-6-14;1-10(2)16-11(3)17(20-9-19-16)21-15-7-6-13(8-14(15)18)24(22,23)12-4-5-12;2*1-10(2)15-11(3)16(20-8-19-15)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(4,20)21;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(4,20)21;1-9(2)14-11(4)15(17-8-16-14)19-13-7-6-10(3)18-12(13)5;1-9(2)13-10(3)14(17-8-16-13)18-12-6-5-7-15-11(12)4/h7-11,14H,5-6H2,1-4H3,(H,19,20,21);6-10,12H,4-5H2,1-3H3,(H,19,20,21);2*4-10H,1-3H3,(H,19,20,22);5-9H,1-3H3,(H,18,19,20);5-9H,1-4H3,(H,17,18,19);5-9H,1-3H3,(H,18,19,20);5-9H,1-4H3,(H,17,18,19);6-9H,1-5H3,(H,16,17,19);5-9H,1-4H3,(H,16,17,18)
InChIKeyNXNCXTORAGTIGC-UHFFFAOYSA-N
MW3071.51 g/mol
LogP38.52
Rot. Bonds38

About N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine

N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 159913811) has the molecular formula C156H181Cl4F3N40O8S4 and a molecular weight of 3071.51 g/mol. Its IUPAC name is N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID159913811
Molecular FormulaC156H181Cl4F3N40O8S4
Molecular Weight3071.51 g/mol
Exact Mass3067.26
IUPAC NameN-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1C(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1C(C)C.Cc1cc(S(=O)(=O)C2CC2)ccc1Nc1ncnc(C(C)C)c1C.Cc1ccc(Nc2ncnc(C(C)C)c2C)c(C)n1.Cc1ncccc1Nc1ncnc(C(C)C)c1C.[C-]#[N+]c1ccc(Nc2ncnc(C(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(C(C)C)c2C)c(F)c1
InChIInChI=1S/C18H23N3O2S.C17H20ClN3O2S.C16H17ClN6.C16H17FN6.C15H15ClN4.C15H18ClN3O2S.C15H15FN4.C15H18FN3O2S.C15H20N4.C14H18N4/c1-11(2)17-13(4)18(20-10-19-17)21-16-8-7-15(9-12(16)3)24(22,23)14-5-6-14;1-10(2)16-11(3)17(20-9-19-16)21-15-7-6-13(8-14(15)18)24(22,23)12-4-5-12;2*1-10(2)15-11(3)16(20-8-19-15)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(4,20)21;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(4,20)21;1-9(2)14-11(4)15(17-8-16-14)19-13-7-6-10(3)18-12(13)5;1-9(2)13-10(3)14(17-8-16-13)18-12-6-5-7-15-11(12)4/h7-11,14H,5-6H2,1-4H3,(H,19,20,21);6-10,12H,4-5H2,1-3H3,(H,19,20,21);2*4-10H,1-3H3,(H,19,20,22);5-9H,1-3H3,(H,18,19,20);5-9H,1-4H3,(H,17,18,19);5-9H,1-3H3,(H,18,19,20);5-9H,1-4H3,(H,17,18,19);6-9H,1-5H3,(H,16,17,19);5-9H,1-4H3,(H,16,17,18)
InChIKeyNXNCXTORAGTIGC-UHFFFAOYSA-N
XLogP38.52
TPSA610.58 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds38
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003071.51
LogP ≤ 538.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine
CID 157110897
4-[[(1S,2S)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;4-[[(1R,2R)-2-(3-azabicyclo[3.1.0]hexan-3-yl)cyclohexyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)-4-[[(1S,2S)-2-[methyl(piperidin-4-yl)amino]cyclohexyl]amino]benzenesulfonamide;2-chloro-5-fluoro-N-[(1S,2S)-2-piperidin-1-ylcyclohexyl]-4-(pyrimidin-4-ylmethylsulfonyl)aniline;trans-(1S,2S)-1-N-[2-cyclopropyl-5-fluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
CID 158243420
N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine
CID 158562667

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine (CID 159913811) is N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine is Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1C(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2Cl)ncnc1C(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1C(C)C.Cc1cc(S(=O)(=O)C2CC2)ccc1Nc1ncnc(C(C)C)c1C.Cc1ccc(Nc2ncnc(C(C)C)c2C)c(C)n1.Cc1ncccc1Nc1ncnc(C(C)C)c1C.[C-]#[N+]c1ccc(Nc2ncnc(C(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(C(C)C)c2C)c(F)c1.
What is the InChIKey of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is NXNCXTORAGTIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.C17H20ClN3O2S.C16H17ClN6.C16H17FN6.C15H15ClN4.C15H18ClN3O2S.C15H15FN4.C15H18FN3O2S.C15H20N4.C14H18N4/c1-11(2)17-13(4)18(20-10-19-17)21-16-8-7-15(9-12(16)3)24(22,23)14-5-6-14;1-10(2)16-11(3)17(20-9-19-16)21-15-7-6-13(8-14(15)18)24(22,23)12-4-5-12;2*1-10(2)15-11(3)16(20-8-19-15)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(4,20)21;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(4,20)21;1-9(2)14-11(4)15(17-8-16-14)19-13-7-6-10(3)18-12(13)5;1-9(2)13-10(3)14(17-8-16-13)18-12-6-5-7-15-11(12)4/h7-11,14H,5-6H2,1-4H3,(H,19,20,21);6-10,12H,4-5H2,1-3H3,(H,19,20,21);2*4-10H,1-3H3,(H,19,20,22);5-9H,1-3H3,(H,18,19,20);5-9H,1-4H3,(H,17,18,19);5-9H,1-3H3,(H,18,19,20);5-9H,1-4H3,(H,17,18,19);6-9H,1-5H3,(H,16,17,19);5-9H,1-4H3,(H,16,17,18).
What are the key properties of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine?
N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 3071.51 g/mol, XLogP of 38.52, 38 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(4-cyclopropylsulfonyl-2-methylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-ylpyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 159913811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).