4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine

C24H29N5 — CID 68560252

IUPAC4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)C)nc(N3CCC(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H29N5/c1-18-9-11-21(12-10-18)25-22-17-23(28(2)3)27-24(26-22)29-15-13-20(14-16-29)19-7-5-4-6-8-19/h4-12,17,20H,13-16H2,1-3H3,(H,25,26,27)
InChIKeySSPZIGXFULYYHV-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.98
Rot. Bonds5

About 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine (PubChem CID 68560252) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine
PubChem CID68560252
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)C)nc(N3CCC(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H29N5/c1-18-9-11-21(12-10-18)25-22-17-23(28(2)3)27-24(26-22)29-15-13-20(14-16-29)19-7-5-4-6-8-19/h4-12,17,20H,13-16H2,1-3H3,(H,25,26,27)
InChIKeySSPZIGXFULYYHV-UHFFFAOYSA-N
XLogP4.98
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine (CID 68560252) is 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(N(C)C)nc(N3CCC(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine?
The InChIKey is SSPZIGXFULYYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-18-9-11-21(12-10-18)25-22-17-23(28(2)3)27-24(26-22)29-15-13-20(14-16-29)19-7-5-4-6-8-19/h4-12,17,20H,13-16H2,1-3H3,(H,25,26,27).
What are the key properties of 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine has a molecular weight of 387.53 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 68560252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).