5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine

C15H14BrN5 — CID 81435682

IUPAC5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NCc2cccc3cccnc23)n1
InChIInChI=1S/C15H14BrN5/c1-17-15-20-9-12(16)14(21-15)19-8-11-5-2-4-10-6-3-7-18-13(10)11/h2-7,9H,8H2,1H3,(H2,17,19,20,21)
InChIKeyPGWDYEQEZDIJPH-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.44
Rot. Bonds4

About 5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine

5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 81435682) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
PubChem CID81435682
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NCc2cccc3cccnc23)n1
InChIInChI=1S/C15H14BrN5/c1-17-15-20-9-12(16)14(21-15)19-8-11-5-2-4-10-6-3-7-18-13(10)11/h2-7,9H,8H2,1H3,(H2,17,19,20,21)
InChIKeyPGWDYEQEZDIJPH-UHFFFAOYSA-N
XLogP3.44
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418
2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81424090
6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine
CID 81435677
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
CID 81423227
3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
CID 104777182
5-bromo-4-N-[(3-fluorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80772365
5-bromo-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80766330
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898973
N-(quinolin-8-ylmethyl)aniline
CID 28610045
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 106262690

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine (CID 81435682) is 5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(Br)c(NCc2cccc3cccnc23)n1.
What is the InChIKey of 5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is PGWDYEQEZDIJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-17-15-20-9-12(16)14(21-15)19-8-11-5-2-4-10-6-3-7-18-13(10)11/h2-7,9H,8H2,1H3,(H2,17,19,20,21).
What are the key properties of 5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine?
5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 344.22 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 81435682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).