4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine

C16H23N5 — CID 69014190

IUPAC4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine
SMILESCN(C)c1nc(NC2CCC(N)CC2)c2ccccc2n1
InChIInChI=1S/C16H23N5/c1-21(2)16-19-14-6-4-3-5-13(14)15(20-16)18-12-9-7-11(17)8-10-12/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,19,20)
InChIKeyTYJLRDBTSWVXPK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.38
Rot. Bonds3

About 4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine

4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine (PubChem CID 69014190) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine
PubChem CID69014190
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine
SMILESCN(C)c1nc(NC2CCC(N)CC2)c2ccccc2n1
InChIInChI=1S/C16H23N5/c1-21(2)16-19-14-6-4-3-5-13(14)15(20-16)18-12-9-7-11(17)8-10-12/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,19,20)
InChIKeyTYJLRDBTSWVXPK-UHFFFAOYSA-N
XLogP2.38
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine (CID 69014190) is 4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine is CN(C)c1nc(NC2CCC(N)CC2)c2ccccc2n1.
What is the InChIKey of 4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine?
The InChIKey is TYJLRDBTSWVXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-21(2)16-19-14-6-4-3-5-13(14)15(20-16)18-12-9-7-11(17)8-10-12/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine?
4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 69014190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).