4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine

C22H27N5 — CID 69015335

IUPAC4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine
SMILESCN(C)c1cccc(-c2ccc3nc(N)nc(NC4CCCCC4)c3c2)c1
InChIInChI=1S/C22H27N5/c1-27(2)18-10-6-7-15(13-18)16-11-12-20-19(14-16)21(26-22(23)25-20)24-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H3,23,24,25,26)
InChIKeyFNVPTLQBIUVVKC-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.69
Rot. Bonds4

About 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine

4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine (PubChem CID 69015335) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine
PubChem CID69015335
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine
SMILESCN(C)c1cccc(-c2ccc3nc(N)nc(NC4CCCCC4)c3c2)c1
InChIInChI=1S/C22H27N5/c1-27(2)18-10-6-7-15(13-18)16-11-12-20-19(14-16)21(26-22(23)25-20)24-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H3,23,24,25,26)
InChIKeyFNVPTLQBIUVVKC-UHFFFAOYSA-N
XLogP4.69
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]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-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine
CID 69014350
6-(6-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
CID 87658802
6-(6-bromo-5-methyl-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
CID 87656658
4-N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazoline-2,4-diamine
CID 69014628
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
4-N-cyclohexyl-6-dibenzofuran-4-ylquinazoline-2,4-diamine
CID 69013924
4-N-cyclohexyl-6-(2,6-dichloro-3-pyridinyl)quinazoline-2,4-diamine
CID 87656967
4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine
CID 69015363
4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine
CID 69013354
4-N-cyclohexyl-6-[4-(oxan-2-yloxy)phenyl]quinazoline-2,4-diamine
CID 69014715
ethyl 4-[2-amino-4-(cyclohexylamino)quinazolin-6-yl]-2-hydroxybenzoate
CID 69016838
2-[2-[2-amino-4-(cyclohexylamino)quinazolin-6-yl]anilino]butanedial
CID 87685599

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine (CID 69015335) is 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine is CN(C)c1cccc(-c2ccc3nc(N)nc(NC4CCCCC4)c3c2)c1.
What is the InChIKey of 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine?
The InChIKey is FNVPTLQBIUVVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-27(2)18-10-6-7-15(13-18)16-11-12-20-19(14-16)21(26-22(23)25-20)24-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H3,23,24,25,26).
What are the key properties of 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine?
4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine has a molecular weight of 361.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 69015335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).