4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

C93H96Cl5F6N21O3S — CID 157407261

IUPAC4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)(C)Cc1cc(-c2cccc(C(F)(F)F)c2)nc(N)n1.CC(C)(C)Cc1cc(-c2cccc(Cl)c2)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Nc1nc(CC2CC2)cc(-c2cccc(Cl)c2)n1.Nc1nc(CC2CCOCC2)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C20H19N5O2S.C16H18ClN3O.C16H18F3N3.C15H18ClN3.C14H14ClN3.C12H9Cl2F3N4/c1-13-7-9-14(10-8-13)28(26,27)25-12-16(15-5-3-4-6-18(15)25)17-11-19(22-2)24-20(21)23-17;17-13-3-1-2-12(9-13)15-10-14(19-16(18)20-15)8-11-4-6-21-7-5-11;1-15(2,3)9-12-8-13(22-14(20)21-12)10-5-4-6-11(7-10)16(17,18)19;1-15(2,3)9-12-8-13(19-14(17)18-12)10-5-4-6-11(16)7-10;15-11-3-1-2-10(7-11)13-8-12(6-9-4-5-9)17-14(16)18-13;13-7-3-1-2-6(10(7)14)8-4-9(21-11(18)20-8)19-5-12(15,16)17/h3-12H,1-2H3,(H3,21,22,23,24);1-3,9-11H,4-8H2,(H2,18,19,20);4-8H,9H2,1-3H3,(H2,20,21,22);4-8H,9H2,1-3H3,(H2,17,18,19);1-3,7-9H,4-6H2,(H2,16,17,18);1-4H,5H2,(H3,18,19,20,21)
InChIKeyBNWFKMBUFYHVGC-UHFFFAOYSA-N
MW1879.25 g/mol
LogP22.26
Rot. Bonds17

About 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (PubChem CID 157407261) has the molecular formula C93H96Cl5F6N21O3S and a molecular weight of 1879.25 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
PubChem CID157407261
Molecular FormulaC93H96Cl5F6N21O3S
Molecular Weight1879.25 g/mol
Exact Mass1875.61
IUPAC Name4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)(C)Cc1cc(-c2cccc(C(F)(F)F)c2)nc(N)n1.CC(C)(C)Cc1cc(-c2cccc(Cl)c2)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Nc1nc(CC2CC2)cc(-c2cccc(Cl)c2)n1.Nc1nc(CC2CCOCC2)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C20H19N5O2S.C16H18ClN3O.C16H18F3N3.C15H18ClN3.C14H14ClN3.C12H9Cl2F3N4/c1-13-7-9-14(10-8-13)28(26,27)25-12-16(15-5-3-4-6-18(15)25)17-11-19(22-2)24-20(21)23-17;17-13-3-1-2-12(9-13)15-10-14(19-16(18)20-15)8-11-4-6-21-7-5-11;1-15(2,3)9-12-8-13(22-14(20)21-12)10-5-4-6-11(7-10)16(17,18)19;1-15(2,3)9-12-8-13(19-14(17)18-12)10-5-4-6-11(16)7-10;15-11-3-1-2-10(7-11)13-8-12(6-9-4-5-9)17-14(16)18-13;13-7-3-1-2-6(10(7)14)8-4-9(21-11(18)20-8)19-5-12(15,16)17/h3-12H,1-2H3,(H3,21,22,23,24);1-3,9-11H,4-8H2,(H2,18,19,20);4-8H,9H2,1-3H3,(H2,20,21,22);4-8H,9H2,1-3H3,(H2,17,18,19);1-3,7-9H,4-6H2,(H2,16,17,18);1-4H,5H2,(H3,18,19,20,21)
InChIKeyBNWFKMBUFYHVGC-UHFFFAOYSA-N
XLogP22.26
TPSA383.16 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001879.25
LogP ≤ 522.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
CID 159648371
4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
CID 160680163
6-[3-(benzenesulfonyl)-3H-inden-1-yl]-4-N-methylpyrimidine-2,4-diamine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
CID 161429432
4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-quinolin-5-ylpyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine;4-N-methyl-6-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 161627657

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (CID 157407261) is 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is CC(C)(C)Cc1cc(-c2cccc(C(F)(F)F)c2)nc(N)n1.CC(C)(C)Cc1cc(-c2cccc(Cl)c2)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(N)n1.Nc1nc(CC2CC2)cc(-c2cccc(Cl)c2)n1.Nc1nc(CC2CCOCC2)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The InChIKey is BNWFKMBUFYHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S.C16H18ClN3O.C16H18F3N3.C15H18ClN3.C14H14ClN3.C12H9Cl2F3N4/c1-13-7-9-14(10-8-13)28(26,27)25-12-16(15-5-3-4-6-18(15)25)17-11-19(22-2)24-20(21)23-17;17-13-3-1-2-12(9-13)15-10-14(19-16(18)20-15)8-11-4-6-21-7-5-11;1-15(2,3)9-12-8-13(22-14(20)21-12)10-5-4-6-11(7-10)16(17,18)19;1-15(2,3)9-12-8-13(19-14(17)18-12)10-5-4-6-11(16)7-10;15-11-3-1-2-10(7-11)13-8-12(6-9-4-5-9)17-14(16)18-13;13-7-3-1-2-6(10(7)14)8-4-9(21-11(18)20-8)19-5-12(15,16)17/h3-12H,1-2H3,(H3,21,22,23,24);1-3,9-11H,4-8H2,(H2,18,19,20);4-8H,9H2,1-3H3,(H2,20,21,22);4-8H,9H2,1-3H3,(H2,17,18,19);1-3,7-9H,4-6H2,(H2,16,17,18);1-4H,5H2,(H3,18,19,20,21).
What are the key properties of 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 1879.25 g/mol, XLogP of 22.26, 17 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157407261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).