6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine

C14H11BrN4 — CID 21002502

IUPAC6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCc3ccccn3)c2c1
InChIInChI=1S/C14H11BrN4/c15-10-4-5-13-12(7-10)14(19-9-18-13)17-8-11-3-1-2-6-16-11/h1-7,9H,8H2,(H,17,18,19)
InChIKeyUWMNTCLVRWHHQG-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.40
Rot. Bonds3

About 6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine

6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine (PubChem CID 21002502) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
PubChem CID21002502
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCc3ccccn3)c2c1
InChIInChI=1S/C14H11BrN4/c15-10-4-5-13-12(7-10)14(19-9-18-13)17-8-11-3-1-2-6-16-11/h1-7,9H,8H2,(H,17,18,19)
InChIKeyUWMNTCLVRWHHQG-UHFFFAOYSA-N
XLogP3.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987542
N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 133277817
7-methoxy-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003056
6-(2-phenylimidazo[1,2-a]pyridin-6-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 168873015
2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
CID 43736724
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327454
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine
CID 155340154
4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860644
6-bromo-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
CID 133342144
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine (CID 21002502) is 6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine is Brc1ccc2ncnc(NCc3ccccn3)c2c1.
What is the InChIKey of 6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is UWMNTCLVRWHHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-10-4-5-13-12(7-10)14(19-9-18-13)17-8-11-3-1-2-6-16-11/h1-7,9H,8H2,(H,17,18,19).
What are the key properties of 6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 315.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 21002502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).