4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine

C19H26N4 — CID 112861063

IUPAC4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESc1ccc(CCNc2cc(NC3CCCCCC3)ncn2)cc1
InChIInChI=1S/C19H26N4/c1-2-7-11-17(10-6-1)23-19-14-18(21-15-22-19)20-13-12-16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,1-2,6-7,10-13H2,(H2,20,21,22,23)
InChIKeySAACZEATUUQAEV-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.27
Rot. Bonds6

About 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine

4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112861063) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112861063
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESc1ccc(CCNc2cc(NC3CCCCCC3)ncn2)cc1
InChIInChI=1S/C19H26N4/c1-2-7-11-17(10-6-1)23-19-14-18(21-15-22-19)20-13-12-16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,1-2,6-7,10-13H2,(H2,20,21,22,23)
InChIKeySAACZEATUUQAEV-UHFFFAOYSA-N
XLogP4.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112856213
4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138132
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859063
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112855896
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
CID 115416444
4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112856201
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine (CID 112861063) is 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine is c1ccc(CCNc2cc(NC3CCCCCC3)ncn2)cc1.
What is the InChIKey of 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is SAACZEATUUQAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-7-11-17(10-6-1)23-19-14-18(21-15-22-19)20-13-12-16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,1-2,6-7,10-13H2,(H2,20,21,22,23).
What are the key properties of 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 310.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112861063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).