4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile

C15H17N5 — CID 121262387

IUPAC4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C15H17N5/c16-8-10-1-6-14-13(7-10)15(19-9-18-14)20-12-4-2-11(17)3-5-12/h1,6-7,9,11-12H,2-5,17H2,(H,18,19,20)
InChIKeyFFGMTZHNGLRJOZ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.18
Rot. Bonds2

About 4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile

4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile (PubChem CID 121262387) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile
PubChem CID121262387
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NC3CCC(N)CC3)c2c1
InChIInChI=1S/C15H17N5/c16-8-10-1-6-14-13(7-10)15(19-9-18-14)20-12-4-2-11(17)3-5-12/h1,6-7,9,11-12H,2-5,17H2,(H,18,19,20)
InChIKeyFFGMTZHNGLRJOZ-UHFFFAOYSA-N
XLogP2.18
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile?
The IUPAC name of 4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile (CID 121262387) is 4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile.
What is the SMILES notation for 4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile?
The canonical SMILES for 4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile is N#Cc1ccc2ncnc(NC3CCC(N)CC3)c2c1.
What is the InChIKey of 4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile?
The InChIKey is FFGMTZHNGLRJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-8-10-1-6-14-13(7-10)15(19-9-18-14)20-12-4-2-11(17)3-5-12/h1,6-7,9,11-12H,2-5,17H2,(H,18,19,20).
What are the key properties of 4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile?
4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile is sourced from PubChem (CID 121262387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).