5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine

C18H13BrN6 — CID 142789520

IUPAC5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
SMILESNc1nc(-c2cncnc2)nc2ccc(Cc3ccccn3)c(Br)c12
InChIInChI=1S/C18H13BrN6/c19-16-11(7-13-3-1-2-6-23-13)4-5-14-15(16)17(20)25-18(24-14)12-8-21-10-22-9-12/h1-6,8-10H,7H2,(H2,20,24,25)
InChIKeyOKIPMJPYBDHQRI-UHFFFAOYSA-N
MW393.25 g/mol
LogP3.42
Rot. Bonds3

About 5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine

5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine (PubChem CID 142789520) has the molecular formula C18H13BrN6 and a molecular weight of 393.25 g/mol. Its IUPAC name is 5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
PubChem CID142789520
Molecular FormulaC18H13BrN6
Molecular Weight393.25 g/mol
Exact Mass392.04
IUPAC Name5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
SMILESNc1nc(-c2cncnc2)nc2ccc(Cc3ccccn3)c(Br)c12
InChIInChI=1S/C18H13BrN6/c19-16-11(7-13-3-1-2-6-23-13)4-5-14-15(16)17(20)25-18(24-14)12-8-21-10-22-9-12/h1-6,8-10H,7H2,(H2,20,24,25)
InChIKeyOKIPMJPYBDHQRI-UHFFFAOYSA-N
XLogP3.42
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pd 158780
CID 4707
N-(3-bromophenyl)benzo[g]quinazolin-4-amine
CID 5328245
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
Sri-9439
CID 446752
7-Amino-4-[(3-bromophenyl)amino]quinazoline
CID 5328045
N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328243
N-(3-bromophenyl)-1-methyl-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328280
N-(3-bromophenyl)-8-methyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328285
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
The IUPAC name of 5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine (CID 142789520) is 5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine.
What is the SMILES notation for 5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
The canonical SMILES for 5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine is Nc1nc(-c2cncnc2)nc2ccc(Cc3ccccn3)c(Br)c12.
What is the InChIKey of 5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
The InChIKey is OKIPMJPYBDHQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN6/c19-16-11(7-13-3-1-2-6-23-13)4-5-14-15(16)17(20)25-18(24-14)12-8-21-10-22-9-12/h1-6,8-10H,7H2,(H2,20,24,25).
What are the key properties of 5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine has a molecular weight of 393.25 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine is sourced from PubChem (CID 142789520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).