2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine

C14H11BrN4 — CID 112618401

IUPAC2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccc(Br)c3cccnc23)n1
InChIInChI=1S/C14H11BrN4/c1-16-12-6-8-18-14(19-12)10-4-5-11(15)9-3-2-7-17-13(9)10/h2-8H,1H3,(H,16,18,19)
InChIKeyGSCWDBRCXCQFKY-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.50
Rot. Bonds2

About 2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine

2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine (PubChem CID 112618401) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine
PubChem CID112618401
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccc(Br)c3cccnc23)n1
InChIInChI=1S/C14H11BrN4/c1-16-12-6-8-18-14(19-12)10-4-5-11(15)9-3-2-7-17-13(9)10/h2-8H,1H3,(H,16,18,19)
InChIKeyGSCWDBRCXCQFKY-UHFFFAOYSA-N
XLogP3.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
CID 115959843
N-methyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867656
3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole
CID 112618266
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 112618320
5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline
CID 115959841
N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62203643
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115960174
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
CID 112618305
2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine
CID 74239897
8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline
CID 112618090
5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115959811
4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine
CID 112618374

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine (CID 112618401) is 2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine is CNc1ccnc(-c2ccc(Br)c3cccnc23)n1.
What is the InChIKey of 2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine?
The InChIKey is GSCWDBRCXCQFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c1-16-12-6-8-18-14(19-12)10-4-5-11(15)9-3-2-7-17-13(9)10/h2-8H,1H3,(H,16,18,19).
What are the key properties of 2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine?
2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine has a molecular weight of 315.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 112618401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).