3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile

C14H16N4 — CID 114788703

IUPAC3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ncc2ccccc2n1
InChIInChI=1S/C14H16N4/c1-3-18(10-11(2)8-15)14-16-9-12-6-4-5-7-13(12)17-14/h4-7,9,11H,3,10H2,1-2H3
InChIKeyKHRPVYPVGXFHPH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.62
Rot. Bonds4

About 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile

3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile (PubChem CID 114788703) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile
PubChem CID114788703
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ncc2ccccc2n1
InChIInChI=1S/C14H16N4/c1-3-18(10-11(2)8-15)14-16-9-12-6-4-5-7-13(12)17-14/h4-7,9,11H,3,10H2,1-2H3
InChIKeyKHRPVYPVGXFHPH-UHFFFAOYSA-N
XLogP2.62
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide
CID 114788799
N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788666
2-[2-cyanopropyl(ethyl)amino]quinoline-4-carbonitrile
CID 63883864
N'-ethyl-2,2-dimethyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114789510
1-[methyl(quinazolin-2-yl)amino]propan-2-ol
CID 114789604
2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine
CID 167588136
(E)-3-[2-[2-cyanopropyl(ethyl)amino]pyrimidin-5-yl]prop-2-enoic acid
CID 113388417
3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile
CID 83065176
N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788668
N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788667
3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 80653025
N-ethyl-N-(piperidin-2-ylmethyl)quinazolin-2-amine
CID 106641730

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile (CID 114788703) is 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1ncc2ccccc2n1.
What is the InChIKey of 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile?
The InChIKey is KHRPVYPVGXFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-3-18(10-11(2)8-15)14-16-9-12-6-4-5-7-13(12)17-14/h4-7,9,11H,3,10H2,1-2H3.
What are the key properties of 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile?
3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile has a molecular weight of 240.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 114788703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).