3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile

C15H19N5 — CID 80828170

IUPAC3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile
SMILESCCNc1nc(N(C)C(C)CC#N)c2ccccc2n1
InChIInChI=1S/C15H19N5/c1-4-17-15-18-13-8-6-5-7-12(13)14(19-15)20(3)11(2)9-10-16/h5-8,11H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyBDBGOSHQVXCLJB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.80
Rot. Bonds5

About 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile

3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile (PubChem CID 80828170) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile
PubChem CID80828170
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile
SMILESCCNc1nc(N(C)C(C)CC#N)c2ccccc2n1
InChIInChI=1S/C15H19N5/c1-4-17-15-18-13-8-6-5-7-12(13)14(19-15)20(3)11(2)9-10-16/h5-8,11H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyBDBGOSHQVXCLJB-UHFFFAOYSA-N
XLogP2.80
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine
CID 80793521
2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80776501
2-N,4-N-diethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80776424
N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80894230
2-N-ethyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80763784
3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile
CID 80787496
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol
CID 104557153
4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80786859
4-N-(1-cyclopropylethyl)-4-N-methyl-2-N-propylquinazoline-2,4-diamine
CID 80774231
2-N,4-N-dimethyl-4-N-pentan-3-ylquinazoline-2,4-diamine
CID 80792804
4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine
CID 80754270
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile?
The IUPAC name of 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile (CID 80828170) is 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile.
What is the SMILES notation for 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile?
The canonical SMILES for 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile is CCNc1nc(N(C)C(C)CC#N)c2ccccc2n1.
What is the InChIKey of 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile?
The InChIKey is BDBGOSHQVXCLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-4-17-15-18-13-8-6-5-7-12(13)14(19-15)20(3)11(2)9-10-16/h5-8,11H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile?
3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile has a molecular weight of 269.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile is sourced from PubChem (CID 80828170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).