4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile

C17H21N5 — CID 130274633

IUPAC4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile
SMILESCN(C)C1CCC(Nc2ncnc3ccc(C#N)cc23)CC1
InChIInChI=1S/C17H21N5/c1-22(2)14-6-4-13(5-7-14)21-17-15-9-12(10-18)3-8-16(15)19-11-20-17/h3,8-9,11,13-14H,4-7H2,1-2H3,(H,19,20,21)
InChIKeyYDHJLPGJCRBXBW-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.79
Rot. Bonds3

About 4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile

4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile (PubChem CID 130274633) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile
PubChem CID130274633
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile
SMILESCN(C)C1CCC(Nc2ncnc3ccc(C#N)cc23)CC1
InChIInChI=1S/C17H21N5/c1-22(2)14-6-4-13(5-7-14)21-17-15-9-12(10-18)3-8-16(15)19-11-20-17/h3,8-9,11,13-14H,4-7H2,1-2H3,(H,19,20,21)
InChIKeyYDHJLPGJCRBXBW-UHFFFAOYSA-N
XLogP2.79
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile?
The IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile (CID 130274633) is 4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile.
What is the SMILES notation for 4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile?
The canonical SMILES for 4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile is CN(C)C1CCC(Nc2ncnc3ccc(C#N)cc23)CC1.
What is the InChIKey of 4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile?
The InChIKey is YDHJLPGJCRBXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-22(2)14-6-4-13(5-7-14)21-17-15-9-12(10-18)3-8-16(15)19-11-20-17/h3,8-9,11,13-14H,4-7H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile?
4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)cyclohexyl]amino]quinazoline-6-carbonitrile is sourced from PubChem (CID 130274633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).