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

C97H108Cl2F6N18O2 — CID 159636012

IUPAC4-(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
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(-c2ccc(Cl)cc2)n1.Nc1nc(CC2CCCC2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H18F3N3.C17H21N3O.C16H18ClN3.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;17-13-7-5-12(6-8-13)15-10-14(19-16(18)20-15)9-11-3-1-2-4-11;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);5-8,10-11H,1-4,9H2,(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)
InChIKeyMPTGADISLZUWFH-UHFFFAOYSA-N
MW1742.95 g/mol
LogP22.94
Rot. Bonds20

About 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

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 (PubChem CID 159636012) has the molecular formula C97H108Cl2F6N18O2 and a molecular weight of 1742.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID159636012
Molecular FormulaC97H108Cl2F6N18O2
Molecular Weight1742.95 g/mol
Exact Mass1740.82
IUPAC Name4-(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
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(-c2ccc(Cl)cc2)n1.Nc1nc(CC2CCCC2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H18F3N3.C17H21N3O.C16H18ClN3.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;17-13-7-5-12(6-8-13)15-10-14(19-16(18)20-15)9-11-3-1-2-4-11;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);5-8,10-11H,1-4,9H2,(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)
InChIKeyMPTGADISLZUWFH-UHFFFAOYSA-N
XLogP22.94
TPSA329.26 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms125
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001742.95
LogP ≤ 522.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(-c2ccc(Cl)cc2)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-(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?
The InChIKey is MPTGADISLZUWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3.C17H21N3O.C16H18ClN3.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;17-13-7-5-12(6-8-13)15-10-14(19-16(18)20-15)9-11-3-1-2-4-11;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);5-8,10-11H,1-4,9H2,(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-(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?
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 has a molecular weight of 1742.95 g/mol, XLogP of 22.94, 20 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159636012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).