4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C81H90ClF6N15O2 — CID 158538763

IUPAC4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(CC3CCC3)nc(N)n2)cc1.COc1ccc(-c2cc(CC3CCCC3)nc(N)n2)cc1.Nc1nc(CC2CCC2)cc(-c2ccc(Cl)cc2)n1.Nc1nc(CC2CCC2)cc(-c2cccc(C(F)(F)F)c2)n1.Nc1nc(CC2CCCC2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H18F3N3.C17H21N3O.C16H16F3N3.C16H19N3O.C15H16ClN3/c18-17(19,20)13-7-3-6-12(9-13)15-10-14(22-16(21)23-15)8-11-4-1-2-5-11;1-21-15-8-6-13(7-9-15)16-11-14(19-17(18)20-16)10-12-4-2-3-5-12;17-16(18,19)12-6-2-5-11(8-12)14-9-13(21-15(20)22-14)7-10-3-1-4-10;1-20-14-7-5-12(6-8-14)15-10-13(18-16(17)19-15)9-11-3-2-4-11;16-12-6-4-11(5-7-12)14-9-13(18-15(17)19-14)8-10-2-1-3-10/h3,6-7,9-11H,1-2,4-5,8H2,(H2,21,22,23);6-9,11-12H,2-5,10H2,1H3,(H2,18,19,20);2,5-6,8-10H,1,3-4,7H2,(H2,20,21,22);5-8,10-11H,2-4,9H2,1H3,(H2,17,18,19);4-7,9-10H,1-3,8H2,(H2,17,18,19)
InChIKeyHOGMZDBPNZKFMU-UHFFFAOYSA-N
MW1455.15 g/mol
LogP18.83
Rot. Bonds17

About 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 158538763) has the molecular formula C81H90ClF6N15O2 and a molecular weight of 1455.15 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID158538763
Molecular FormulaC81H90ClF6N15O2
Molecular Weight1455.15 g/mol
Exact Mass1453.70
IUPAC Name4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(CC3CCC3)nc(N)n2)cc1.COc1ccc(-c2cc(CC3CCCC3)nc(N)n2)cc1.Nc1nc(CC2CCC2)cc(-c2ccc(Cl)cc2)n1.Nc1nc(CC2CCC2)cc(-c2cccc(C(F)(F)F)c2)n1.Nc1nc(CC2CCCC2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H18F3N3.C17H21N3O.C16H16F3N3.C16H19N3O.C15H16ClN3/c18-17(19,20)13-7-3-6-12(9-13)15-10-14(22-16(21)23-15)8-11-4-1-2-5-11;1-21-15-8-6-13(7-9-15)16-11-14(19-17(18)20-16)10-12-4-2-3-5-12;17-16(18,19)12-6-2-5-11(8-12)14-9-13(21-15(20)22-14)7-10-3-1-4-10;1-20-14-7-5-12(6-8-14)15-10-13(18-16(17)19-15)9-11-3-2-4-11;16-12-6-4-11(5-7-12)14-9-13(18-15(17)19-14)8-10-2-1-3-10/h3,6-7,9-11H,1-2,4-5,8H2,(H2,21,22,23);6-9,11-12H,2-5,10H2,1H3,(H2,18,19,20);2,5-6,8-10H,1,3-4,7H2,(H2,20,21,22);5-8,10-11H,2-4,9H2,1H3,(H2,17,18,19);4-7,9-10H,1-3,8H2,(H2,17,18,19)
InChIKeyHOGMZDBPNZKFMU-UHFFFAOYSA-N
XLogP18.83
TPSA277.46 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001455.15
LogP ≤ 518.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 157068955
4-[2,5-Bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157472919
4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 157488008
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157658692
4-(4-Chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(2,2-dimethylpropyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 158191294
4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 158961874
4-(3-Chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 159147124
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 159246077
4-(3-Chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(2,2-dimethylpropyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 159632759
4-(4-Chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(cyclopentylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 159636012
4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 160139330
6-Butyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine;5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;5-(4-chlorophenyl)-6-propylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-(4-methoxyphenyl)-6-propylpyrimidine-2,4-diamine;5-(4-methylphenyl)-6-propylpyrimidine-2,4-diamine;6-methyl-5-phenylpyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 160298799

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 158538763) is 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is COc1ccc(-c2cc(CC3CCC3)nc(N)n2)cc1.COc1ccc(-c2cc(CC3CCCC3)nc(N)n2)cc1.Nc1nc(CC2CCC2)cc(-c2ccc(Cl)cc2)n1.Nc1nc(CC2CCC2)cc(-c2cccc(C(F)(F)F)c2)n1.Nc1nc(CC2CCCC2)cc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is HOGMZDBPNZKFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3.C17H21N3O.C16H16F3N3.C16H19N3O.C15H16ClN3/c18-17(19,20)13-7-3-6-12(9-13)15-10-14(22-16(21)23-15)8-11-4-1-2-5-11;1-21-15-8-6-13(7-9-15)16-11-14(19-17(18)20-16)10-12-4-2-3-5-12;17-16(18,19)12-6-2-5-11(8-12)14-9-13(21-15(20)22-14)7-10-3-1-4-10;1-20-14-7-5-12(6-8-14)15-10-13(18-16(17)19-15)9-11-3-2-4-11;16-12-6-4-11(5-7-12)14-9-13(18-15(17)19-14)8-10-2-1-3-10/h3,6-7,9-11H,1-2,4-5,8H2,(H2,21,22,23);6-9,11-12H,2-5,10H2,1H3,(H2,18,19,20);2,5-6,8-10H,1,3-4,7H2,(H2,20,21,22);5-8,10-11H,2-4,9H2,1H3,(H2,17,18,19);4-7,9-10H,1-3,8H2,(H2,17,18,19).
What are the key properties of 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 1455.15 g/mol, XLogP of 18.83, 17 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158538763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).