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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Related Compounds

4-[[4-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274675
4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274767
4-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 121261640
4-[[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130294950
4-[[4-[4-(2-cyclopropyl-2-hydroxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 121255049
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274785
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
4-[(4-aminocyclohexyl)amino]-3-chlorobenzonitrile
CID 63092581
4-(2-methylpropylamino)quinazoline-6-carbonitrile
CID 56942486

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).