4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine

C18H28N4 — CID 143863516

IUPAC4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2c(n1)C1(CCCC1)CCC2
InChIInChI=1S/C18H28N4/c19-17-21-15-14(9-6-12-18(15)10-4-5-11-18)16(22-17)20-13-7-2-1-3-8-13/h13H,1-12H2,(H3,19,20,21,22)
InChIKeyUBSJOCFPAWIAOW-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.95
Rot. Bonds2

About 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine

4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine (PubChem CID 143863516) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
PubChem CID143863516
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2c(n1)C1(CCCC1)CCC2
InChIInChI=1S/C18H28N4/c19-17-21-15-14(9-6-12-18(15)10-4-5-11-18)16(22-17)20-13-7-2-1-3-8-13/h13H,1-12H2,(H3,19,20,21,22)
InChIKeyUBSJOCFPAWIAOW-UHFFFAOYSA-N
XLogP3.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-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-cyclooctylquinazoline-2,4-diamine
CID 80786546
2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 82460740
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine
CID 69014350
4-N-(1-oxaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56914628
4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80837383
7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine
CID 143605568
4-(3-aminoazetidin-1-yl)spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine;piperidine-4-carboxylic acid
CID 159426013
4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
CID 57342963
5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine
CID 83867234
[2-amino-4-(cyclopentylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 56914385
6-(6-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
CID 87658802

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
The IUPAC name of 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine (CID 143863516) is 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
The canonical SMILES for 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine is Nc1nc(NC2CCCCC2)c2c(n1)C1(CCCC1)CCC2.
What is the InChIKey of 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
The InChIKey is UBSJOCFPAWIAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c19-17-21-15-14(9-6-12-18(15)10-4-5-11-18)16(22-17)20-13-7-2-1-3-8-13/h13H,1-12H2,(H3,19,20,21,22).
What are the key properties of 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine has a molecular weight of 300.45 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine is sourced from PubChem (CID 143863516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).