N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C120H166F8N32O13S2 — CID 159559552

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCC(=O)N1CCC(Nc2nccc(C(C)C)n2)C1.CC(C)c1ccnc(NC2CCN(S(C)(=O)=O)C2)n1.CC(C)c1ccnc(NC[C@@H](C)NS(C)(=O)=O)n1.CC(C)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1.CC(C)c1ccnc(Nc2ccc3c(c2)OC(F)(F)O3)n1.CC(C)c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1.COCC(=O)NC[C@@H](C)Nc1nccc(C(C)C)n1.CO[C@@H](C)C(=O)N[C@H](C)CNc1nccc(C(C)C)n1.COc1ccc(CNc2nccc(C(C)C)n2)cc1
InChIInChI=1S/C15H19N3O.C14H14F3N3O.C14H14F3N3.C14H13F2N3O2.C14H24N4O2.C13H22N4O2.C13H20N4O.C12H20N4O2S.C11H20N4O2S/c1-11(2)14-8-9-16-15(18-14)17-10-12-4-6-13(19-3)7-5-12;1-9(2)12-6-7-18-13(20-12)19-10-4-3-5-11(8-10)21-14(15,16)17;1-9(2)12-7-8-18-13(20-12)19-11-5-3-10(4-6-11)14(15,16)17;1-8(2)10-5-6-17-13(19-10)18-9-3-4-11-12(7-9)21-14(15,16)20-11;1-9(2)12-6-7-15-14(18-12)16-8-10(3)17-13(19)11(4)20-5;1-9(2)11-5-6-14-13(17-11)16-10(3)7-15-12(18)8-19-4;1-9(2)12-4-6-14-13(16-12)15-11-5-7-17(8-11)10(3)18;1-9(2)11-4-6-13-12(15-11)14-10-5-7-16(8-10)19(3,17)18;1-8(2)10-5-6-12-11(14-10)13-7-9(3)15-18(4,16)17/h4-9,11H,10H2,1-3H3,(H,16,17,18);3-9H,1-2H3,(H,18,19,20);3-9H,1-2H3,(H,18,19,20);3-8H,1-2H3,(H,17,18,19);6-7,9-11H,8H2,1-5H3,(H,17,19)(H,15,16,18);5-6,9-10H,7-8H2,1-4H3,(H,15,18)(H,14,16,17);4,6,9,11H,5,7-8H2,1-3H3,(H,14,15,16);4,6,9-10H,5,7-8H2,1-3H3,(H,13,14,15);5-6,8-9,15H,7H2,1-4H3,(H,12,13,14)/t;;;;10-,11+;10-;;;9-/m....11..1/s1
InChIKeyMGKUUFURRYURNB-MUQONAFGSA-N
MW2480.98 g/mol
LogP21.83
Rot. Bonds42

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 159559552) has the molecular formula C120H166F8N32O13S2 and a molecular weight of 2480.98 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID159559552
Molecular FormulaC120H166F8N32O13S2
Molecular Weight2480.98 g/mol
Exact Mass2479.26
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCC(=O)N1CCC(Nc2nccc(C(C)C)n2)C1.CC(C)c1ccnc(NC2CCN(S(C)(=O)=O)C2)n1.CC(C)c1ccnc(NC[C@@H](C)NS(C)(=O)=O)n1.CC(C)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1.CC(C)c1ccnc(Nc2ccc3c(c2)OC(F)(F)O3)n1.CC(C)c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1.COCC(=O)NC[C@@H](C)Nc1nccc(C(C)C)n1.CO[C@@H](C)C(=O)N[C@H](C)CNc1nccc(C(C)C)n1.COc1ccc(CNc2nccc(C(C)C)n2)cc1
InChIInChI=1S/C15H19N3O.C14H14F3N3O.C14H14F3N3.C14H13F2N3O2.C14H24N4O2.C13H22N4O2.C13H20N4O.C12H20N4O2S.C11H20N4O2S/c1-11(2)14-8-9-16-15(18-14)17-10-12-4-6-13(19-3)7-5-12;1-9(2)12-6-7-18-13(20-12)19-10-4-3-5-11(8-10)21-14(15,16)17;1-9(2)12-7-8-18-13(20-12)19-11-5-3-10(4-6-11)14(15,16)17;1-8(2)10-5-6-17-13(19-10)18-9-3-4-11-12(7-9)21-14(15,16)20-11;1-9(2)12-6-7-15-14(18-12)16-8-10(3)17-13(19)11(4)20-5;1-9(2)11-5-6-14-13(17-11)16-10(3)7-15-12(18)8-19-4;1-9(2)12-4-6-14-13(16-12)15-11-5-7-17(8-11)10(3)18;1-9(2)11-4-6-13-12(15-11)14-10-5-7-16(8-10)19(3,17)18;1-8(2)10-5-6-12-11(14-10)13-7-9(3)15-18(4,16)17/h4-9,11H,10H2,1-3H3,(H,16,17,18);3-9H,1-2H3,(H,18,19,20);3-9H,1-2H3,(H,18,19,20);3-8H,1-2H3,(H,17,18,19);6-7,9-11H,8H2,1-5H3,(H,17,19)(H,15,16,18);5-6,9-10H,7-8H2,1-4H3,(H,15,18)(H,14,16,17);4,6,9,11H,5,7-8H2,1-3H3,(H,14,15,16);4,6,9-10H,5,7-8H2,1-3H3,(H,13,14,15);5-6,8-9,15H,7H2,1-4H3,(H,12,13,14)/t;;;;10-,11+;10-;;;9-/m....11..1/s1
InChIKeyMGKUUFURRYURNB-MUQONAFGSA-N
XLogP21.83
TPSA557.73 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002480.98
LogP ≤ 521.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-4-propan-2-ylpyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-propan-2-ylpyrimidin-2-amine;N-(3-ethylphenyl)-4-propan-2-ylpyrimidin-2-amine;(2S,5S)-2-methoxy-5-methyl-6-[(4-propan-2-ylpyrimidin-2-yl)amino]hexan-3-one;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;3-methoxy-5-(4-propan-2-ylpyrimidin-2-yl)pyridin-2-amine;N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-2-methyl-3-methylsulfonylpropyl]-4-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1H-pyrimidin-2-one;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 160126791
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 160819238
N-(cyclopropylmethyl)-4-propan-2-ylpyrimidin-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-propan-2-ylpyrimidin-2-amine;(2S,5S)-2-methoxy-5-methyl-6-[(4-propan-2-ylpyrimidin-2-yl)amino]hexan-3-one;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;N-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-2-amine;3-methoxy-5-(4-propan-2-ylpyrimidin-2-yl)pyridin-2-amine;N-(3-methoxypropyl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-2-methyl-3-methylsulfonylpropyl]-4-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1H-pyrimidin-2-one;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 161580012

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 159559552) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is CC(=O)N1CCC(Nc2nccc(C(C)C)n2)C1.CC(C)c1ccnc(NC2CCN(S(C)(=O)=O)C2)n1.CC(C)c1ccnc(NC[C@@H](C)NS(C)(=O)=O)n1.CC(C)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1.CC(C)c1ccnc(Nc2ccc3c(c2)OC(F)(F)O3)n1.CC(C)c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1.COCC(=O)NC[C@@H](C)Nc1nccc(C(C)C)n1.CO[C@@H](C)C(=O)N[C@H](C)CNc1nccc(C(C)C)n1.COc1ccc(CNc2nccc(C(C)C)n2)cc1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is MGKUUFURRYURNB-MUQONAFGSA-N. The full InChI is InChI=1S/C15H19N3O.C14H14F3N3O.C14H14F3N3.C14H13F2N3O2.C14H24N4O2.C13H22N4O2.C13H20N4O.C12H20N4O2S.C11H20N4O2S/c1-11(2)14-8-9-16-15(18-14)17-10-12-4-6-13(19-3)7-5-12;1-9(2)12-6-7-18-13(20-12)19-10-4-3-5-11(8-10)21-14(15,16)17;1-9(2)12-7-8-18-13(20-12)19-11-5-3-10(4-6-11)14(15,16)17;1-8(2)10-5-6-17-13(19-10)18-9-3-4-11-12(7-9)21-14(15,16)20-11;1-9(2)12-6-7-15-14(18-12)16-8-10(3)17-13(19)11(4)20-5;1-9(2)11-5-6-14-13(17-11)16-10(3)7-15-12(18)8-19-4;1-9(2)12-4-6-14-13(16-12)15-11-5-7-17(8-11)10(3)18;1-9(2)11-4-6-13-12(15-11)14-10-5-7-16(8-10)19(3,17)18;1-8(2)10-5-6-12-11(14-10)13-7-9(3)15-18(4,16)17/h4-9,11H,10H2,1-3H3,(H,16,17,18);3-9H,1-2H3,(H,18,19,20);3-9H,1-2H3,(H,18,19,20);3-8H,1-2H3,(H,17,18,19);6-7,9-11H,8H2,1-5H3,(H,17,19)(H,15,16,18);5-6,9-10H,7-8H2,1-4H3,(H,15,18)(H,14,16,17);4,6,9,11H,5,7-8H2,1-3H3,(H,14,15,16);4,6,9-10H,5,7-8H2,1-3H3,(H,13,14,15);5-6,8-9,15H,7H2,1-4H3,(H,12,13,14)/t;;;;10-,11+;10-;;;9-/m....11..1/s1.
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 2480.98 g/mol, XLogP of 21.83, 42 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyrimidin-2-amine;(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159559552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).