2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine

C105H134N22O — CID 159951627

IUPAC2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCN(CCc1c[nH]c2ccccc12)c1nc(Nc2ccc3ccccc3c2)cc(N2CCCCC2)n1.COCCN(c1nc(Nc2ccc(C)cc2)cc(N2CCCCC2)n1)C1CCCCC1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N(C)C3CCCCC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N(C)CCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C30H32N6.C27H32N6.C25H37N5O.C23H33N5/c1-35(18-15-24-21-31-27-12-6-5-11-26(24)27)30-33-28(20-29(34-30)36-16-7-2-8-17-36)32-25-14-13-22-9-3-4-10-23(22)19-25;1-20-10-12-22(13-11-20)29-25-18-26(33-15-6-3-7-16-33)31-27(30-25)32(2)17-14-21-19-28-24-9-5-4-8-23(21)24;1-20-11-13-21(14-12-20)26-23-19-24(29-15-7-4-8-16-29)28-25(27-23)30(17-18-31-2)22-9-5-3-6-10-22;1-18-11-13-19(14-12-18)24-21-17-22(28-15-7-4-8-16-28)26-23(25-21)27(2)20-9-5-3-6-10-20/h3-6,9-14,19-21,31H,2,7-8,15-18H2,1H3,(H,32,33,34);4-5,8-13,18-19,28H,3,6-7,14-17H2,1-2H3,(H,29,30,31);11-14,19,22H,3-10,15-18H2,1-2H3,(H,26,27,28);11-14,17,20H,3-10,15-16H2,1-2H3,(H,24,25,26)
InChIKeyOCEOPYXRTMAUJD-UHFFFAOYSA-N
MW1720.38 g/mol
LogP22.80
Rot. Bonds27

About 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine

2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 159951627) has the molecular formula C105H134N22O and a molecular weight of 1720.38 g/mol. Its IUPAC name is 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID159951627
Molecular FormulaC105H134N22O
Molecular Weight1720.38 g/mol
Exact Mass1719.11
IUPAC Name2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCN(CCc1c[nH]c2ccccc12)c1nc(Nc2ccc3ccccc3c2)cc(N2CCCCC2)n1.COCCN(c1nc(Nc2ccc(C)cc2)cc(N2CCCCC2)n1)C1CCCCC1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N(C)C3CCCCC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N(C)CCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C30H32N6.C27H32N6.C25H37N5O.C23H33N5/c1-35(18-15-24-21-31-27-12-6-5-11-26(24)27)30-33-28(20-29(34-30)36-16-7-2-8-17-36)32-25-14-13-22-9-3-4-10-23(22)19-25;1-20-10-12-22(13-11-20)29-25-18-26(33-15-6-3-7-16-33)31-27(30-25)32(2)17-14-21-19-28-24-9-5-4-8-23(21)24;1-20-11-13-21(14-12-20)26-23-19-24(29-15-7-4-8-16-29)28-25(27-23)30(17-18-31-2)22-9-5-3-6-10-22;1-18-11-13-19(14-12-18)24-21-17-22(28-15-7-4-8-16-28)26-23(25-21)27(2)20-9-5-3-6-10-20/h3-6,9-14,19-21,31H,2,7-8,15-18H2,1H3,(H,32,33,34);4-5,8-13,18-19,28H,3,6-7,14-17H2,1-2H3,(H,29,30,31);11-14,19,22H,3-10,15-18H2,1-2H3,(H,26,27,28);11-14,17,20H,3-10,15-16H2,1-2H3,(H,24,25,26)
InChIKeyOCEOPYXRTMAUJD-UHFFFAOYSA-N
XLogP22.80
TPSA217.97 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001720.38
LogP ≤ 522.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine (CID 159951627) is 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine is CN(CCc1c[nH]c2ccccc12)c1nc(Nc2ccc3ccccc3c2)cc(N2CCCCC2)n1.COCCN(c1nc(Nc2ccc(C)cc2)cc(N2CCCCC2)n1)C1CCCCC1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N(C)C3CCCCC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N(C)CCc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is OCEOPYXRTMAUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6.C27H32N6.C25H37N5O.C23H33N5/c1-35(18-15-24-21-31-27-12-6-5-11-26(24)27)30-33-28(20-29(34-30)36-16-7-2-8-17-36)32-25-14-13-22-9-3-4-10-23(22)19-25;1-20-10-12-22(13-11-20)29-25-18-26(33-15-6-3-7-16-33)31-27(30-25)32(2)17-14-21-19-28-24-9-5-4-8-23(21)24;1-20-11-13-21(14-12-20)26-23-19-24(29-15-7-4-8-16-29)28-25(27-23)30(17-18-31-2)22-9-5-3-6-10-22;1-18-11-13-19(14-12-18)24-21-17-22(28-15-7-4-8-16-28)26-23(25-21)27(2)20-9-5-3-6-10-20/h3-6,9-14,19-21,31H,2,7-8,15-18H2,1H3,(H,32,33,34);4-5,8-13,18-19,28H,3,6-7,14-17H2,1-2H3,(H,29,30,31);11-14,19,22H,3-10,15-18H2,1-2H3,(H,26,27,28);11-14,17,20H,3-10,15-16H2,1-2H3,(H,24,25,26).
What are the key properties of 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 1720.38 g/mol, XLogP of 22.80, 27 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-cyclohexyl-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-4-N-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 159951627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).