1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline

C15H16BrN3 — CID 107079634

IUPAC1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2c1ncc(CBr)cn1
InChIInChI=1S/C15H16BrN3/c1-11-4-5-14-13(7-11)3-2-6-19(14)15-17-9-12(8-16)10-18-15/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyFOUOBBUGPQYLEU-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.76
Rot. Bonds2

About 1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline

1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 107079634) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID107079634
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2c1ncc(CBr)cn1
InChIInChI=1S/C15H16BrN3/c1-11-4-5-14-13(7-11)3-2-6-19(14)15-17-9-12(8-16)10-18-15/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyFOUOBBUGPQYLEU-UHFFFAOYSA-N
XLogP3.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796345
[6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
CID 81249502
[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanamine
CID 24702103
5-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80754656
[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62755045
1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940378
2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63784065
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80753865
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 94674661
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 107079637

Frequently Asked Questions

What is the IUPAC name of 1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline (CID 107079634) is 1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2c1ncc(CBr)cn1.
What is the InChIKey of 1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is FOUOBBUGPQYLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-11-4-5-14-13(7-11)3-2-6-19(14)15-17-9-12(8-16)10-18-15/h4-5,7,9-10H,2-3,6,8H2,1H3.
What are the key properties of 1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline?
1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 318.22 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 107079634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).