3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile

C16H19N5 — CID 80787496

IUPAC3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile
SMILESCCNc1nc(N(CCC#N)C2CC2)c2ccccc2n1
InChIInChI=1S/C16H19N5/c1-2-18-16-19-14-7-4-3-6-13(14)15(20-16)21(11-5-10-17)12-8-9-12/h3-4,6-7,12H,2,5,8-9,11H2,1H3,(H,18,19,20)
InChIKeyIZDRLSIYHFAJIV-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.94
Rot. Bonds6

About 3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile

3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile (PubChem CID 80787496) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile
PubChem CID80787496
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile
SMILESCCNc1nc(N(CCC#N)C2CC2)c2ccccc2n1
InChIInChI=1S/C16H19N5/c1-2-18-16-19-14-7-4-3-6-13(14)15(20-16)21(11-5-10-17)12-8-9-12/h3-4,6-7,12H,2,5,8-9,11H2,1H3,(H,18,19,20)
InChIKeyIZDRLSIYHFAJIV-UHFFFAOYSA-N
XLogP2.94
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile
CID 80904992
3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile
CID 80828170
3-[cyclopropyl-(2-methylquinolin-4-yl)amino]propanenitrile
CID 54997126
2-N-ethyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80763784
4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80786859
3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile
CID 54997270
4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine
CID 80754270
2-N,4-N-diethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80776424
2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80776501
2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine
CID 80793521
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile (CID 80787496) is 3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile is CCNc1nc(N(CCC#N)C2CC2)c2ccccc2n1.
What is the InChIKey of 3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile?
The InChIKey is IZDRLSIYHFAJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-18-16-19-14-7-4-3-6-13(14)15(20-16)21(11-5-10-17)12-8-9-12/h3-4,6-7,12H,2,5,8-9,11H2,1H3,(H,18,19,20).
What are the key properties of 3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile?
3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile has a molecular weight of 281.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile is sourced from PubChem (CID 80787496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).