2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine

C21H29N5O — CID 112870136

IUPAC2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCC2CCCO2)cc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C21H29N5O/c1-16-23-20(22-15-19-6-5-13-27-19)14-21(24-16)25-17-7-9-18(10-8-17)26-11-3-2-4-12-26/h7-10,14,19H,2-6,11-13,15H2,1H3,(H2,22,23,24,25)
InChIKeyGHZYXNMZNXMWFH-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.11
Rot. Bonds6

About 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine

2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112870136) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112870136
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCC2CCCO2)cc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C21H29N5O/c1-16-23-20(22-15-19-6-5-13-27-19)14-21(24-16)25-17-7-9-18(10-8-17)26-11-3-2-4-12-26/h7-10,14,19H,2-6,11-13,15H2,1H3,(H2,22,23,24,25)
InChIKeyGHZYXNMZNXMWFH-UHFFFAOYSA-N
XLogP4.11
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112912539
4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870104
2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 82834994
4-N-(2,5-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870079
4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870105
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870102
6-N-butyl-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112867983
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869998
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944669
5-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944667
6-hydrazinyl-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80907284
4-N-(4-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine (CID 112870136) is 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine is Cc1nc(NCC2CCCO2)cc(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is GHZYXNMZNXMWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16-23-20(22-15-19-6-5-13-27-19)14-21(24-16)25-17-7-9-18(10-8-17)26-11-3-2-4-12-26/h7-10,14,19H,2-6,11-13,15H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine?
2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 367.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112870136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).