4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine

C15H20N4 — CID 80776922

IUPAC4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine
SMILESCC1CCCCC1Nc1nc(N)nc2ccccc12
InChIInChI=1S/C15H20N4/c1-10-6-2-4-8-12(10)17-14-11-7-3-5-9-13(11)18-15(16)19-14/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H3,16,17,18,19)
InChIKeyDBNYTJLSXVGZAL-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.20
Rot. Bonds2

About 4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine

4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine (PubChem CID 80776922) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine
PubChem CID80776922
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine
SMILESCC1CCCCC1Nc1nc(N)nc2ccccc12
InChIInChI=1S/C15H20N4/c1-10-6-2-4-8-12(10)17-14-11-7-3-5-9-13(11)18-15(16)19-14/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H3,16,17,18,19)
InChIKeyDBNYTJLSXVGZAL-UHFFFAOYSA-N
XLogP3.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 80827366
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258
[2-[(2-aminoquinazolin-4-yl)amino]cyclopentyl]methanol
CID 106368086
3-methyl-N-(2-methylcyclohexyl)quinoxalin-2-amine
CID 60730168
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine
CID 80784788
4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine
CID 83027690
4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine
CID 80803766
2-N-(2-methylcyclopentyl)pyridine-2,3-diamine
CID 63278381
N-(2-methylcyclohexyl)tetrazolo[1,5-a]quinoxalin-4-amine
CID 20889099
4-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 80828289
3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258511

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine (CID 80776922) is 4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine is CC1CCCCC1Nc1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine?
The InChIKey is DBNYTJLSXVGZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-6-2-4-8-12(10)17-14-11-7-3-5-9-13(11)18-15(16)19-14/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine?
4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80776922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).