2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine

C17H24N4 — CID 80791505

IUPAC2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCC2CCCCC2C)c2ccccc2n1
InChIInChI=1S/C17H24N4/c1-12-7-3-4-8-13(12)11-19-16-14-9-5-6-10-15(14)20-17(18-2)21-16/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyMZAYUOKJEQUIGM-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.91
Rot. Bonds4

About 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine

2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine (PubChem CID 80791505) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine
PubChem CID80791505
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCC2CCCCC2C)c2ccccc2n1
InChIInChI=1S/C17H24N4/c1-12-7-3-4-8-13(12)11-19-16-14-9-5-6-10-15(14)20-17(18-2)21-16/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyMZAYUOKJEQUIGM-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-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

Related Compounds

4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138447
2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine
CID 80827050
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80775529
4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine
CID 63541033
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
N-[(2-methylcyclopentyl)methyl]quinazolin-2-amine
CID 107419181
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine
CID 80826905
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
3-methyl-N-[(2-methylcyclopentyl)methyl]quinolin-2-amine
CID 107419147

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine (CID 80791505) is 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine is CNc1nc(NCC2CCCCC2C)c2ccccc2n1.
What is the InChIKey of 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine?
The InChIKey is MZAYUOKJEQUIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-7-3-4-8-13(12)11-19-16-14-9-5-6-10-15(14)20-17(18-2)21-16/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine?
2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80791505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).