4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

C15H26N4 — CID 112868668

IUPAC4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(NC2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-11(2)8-9-16-14-10-15(18-12(3)17-14)19-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeySZHFVELRENNDTI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.60
Rot. Bonds6

About 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 112868668) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID112868668
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(NC2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-11(2)8-9-16-14-10-15(18-12(3)17-14)19-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeySZHFVELRENNDTI-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)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-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870060
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
4-N-cyclopropyl-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112867448
4-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112875821
1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one
CID 115266890
2-methyl-4-N-(oxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80789462
4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80837025

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (CID 112868668) is 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is Cc1nc(NCCC(C)C)cc(NC2CCCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is SZHFVELRENNDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)8-9-16-14-10-15(18-12(3)17-14)19-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112868668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).