3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile

C12H11BrN4 — CID 133370502

IUPAC3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile
SMILESCN(CCC#N)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C12H11BrN4/c1-17(6-2-5-14)12-10-7-9(13)3-4-11(10)15-8-16-12/h3-4,7-8H,2,6H2,1H3
InChIKeySDCYCJYDRYVNLT-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.74
Rot. Bonds3

About 3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile

3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile (PubChem CID 133370502) has the molecular formula C12H11BrN4 and a molecular weight of 291.15 g/mol. Its IUPAC name is 3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile
PubChem CID133370502
Molecular FormulaC12H11BrN4
Molecular Weight291.15 g/mol
Exact Mass290.02
IUPAC Name3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile
SMILESCN(CCC#N)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C12H11BrN4/c1-17(6-2-5-14)12-10-7-9(13)3-4-11(10)15-8-16-12/h3-4,7-8H,2,6H2,1H3
InChIKeySDCYCJYDRYVNLT-UHFFFAOYSA-N
XLogP2.74
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(quinazolin-4-yl)amino]propanenitrile
CID 60726113
6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine
CID 133376543
6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271711
4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
CID 64587901
3-[ethyl-(6-nitroquinazolin-4-yl)amino]propanenitrile
CID 64585313
2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 86946093
3-[(6-nitroquinazolin-4-yl)-propan-2-ylamino]propanenitrile
CID 64585315
6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine
CID 86946189
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile
CID 106795797
6-bromo-4-chloroquinazoline;hydrochloride
CID 75529861
N-butyl-6-methoxy-N-methylquinazolin-4-amine
CID 21002840
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80753994

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile (CID 133370502) is 3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile is CN(CCC#N)c1ncnc2ccc(Br)cc12.
What is the InChIKey of 3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile?
The InChIKey is SDCYCJYDRYVNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4/c1-17(6-2-5-14)12-10-7-9(13)3-4-11(10)15-8-16-12/h3-4,7-8H,2,6H2,1H3.
What are the key properties of 3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile?
3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile has a molecular weight of 291.15 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile is sourced from PubChem (CID 133370502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).