5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine

C14H11BrN4 — CID 78953418

IUPAC5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
SMILESBrc1cnc(NCc2cccc3cccnc23)nc1
InChIInChI=1S/C14H11BrN4/c15-12-8-18-14(19-9-12)17-7-11-4-1-3-10-5-2-6-16-13(10)11/h1-6,8-9H,7H2,(H,17,18,19)
InChIKeyRLYPOBSYPOJRRN-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.40
Rot. Bonds3

About 5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine

5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine (PubChem CID 78953418) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
PubChem CID78953418
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
SMILESBrc1cnc(NCc2cccc3cccnc23)nc1
InChIInChI=1S/C14H11BrN4/c15-12-8-18-14(19-9-12)17-7-11-4-1-3-10-5-2-6-16-13(10)11/h1-6,8-9H,7H2,(H,17,18,19)
InChIKeyRLYPOBSYPOJRRN-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

5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81435682
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline
CID 28992978
3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
CID 104777182
N-(quinolin-8-ylmethyl)aniline
CID 28610045
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
4-bromo-2-(quinolin-8-ylmethylamino)benzonitrile
CID 114902063
4-methyl-2-N-(quinolin-8-ylmethyl)pyridine-2,5-diamine
CID 81426632
2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81424090
2-hydrazinyl-N-(quinolin-8-ylmethyl)pyrimidin-4-amine
CID 81423611
3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
CID 81423227

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine (CID 78953418) is 5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine is Brc1cnc(NCc2cccc3cccnc23)nc1.
What is the InChIKey of 5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine?
The InChIKey is RLYPOBSYPOJRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-12-8-18-14(19-9-12)17-7-11-4-1-3-10-5-2-6-16-13(10)11/h1-6,8-9H,7H2,(H,17,18,19).
What are the key properties of 5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine?
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-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 5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 78953418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).