2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one

C12H12BrN3O — CID 136715409

IUPAC2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-c2ncccc2Br)n1
InChIInChI=1S/C12H12BrN3O/c1-2-4-8-7-10(17)16-12(15-8)11-9(13)5-3-6-14-11/h3,5-7H,2,4H2,1H3,(H,15,16,17)
InChIKeyUSJPDMBTBBPGKP-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one

2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136715409) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136715409
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-c2ncccc2Br)n1
InChIInChI=1S/C12H12BrN3O/c1-2-4-8-7-10(17)16-12(15-8)11-9(13)5-3-6-14-11/h3,5-7H,2,4H2,1H3,(H,15,16,17)
InChIKeyUSJPDMBTBBPGKP-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one
CID 136715411
2-(3-bromo-2-pyridinyl)-4-[(tert-butylamino)methyl]-1H-pyrimidin-6-one
CID 136715517
4-propyl-2-pyrimidin-2-ylsulfanyl-1H-pyrimidin-6-one
CID 136680347
4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one
CID 136847819
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381
2-(3,4-dihydroxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136938589
2-[[3-(ethylaminomethyl)-2-pyridinyl]sulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136835807
2-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
2-(3-bromo-2-pyridinyl)-3-ethylpyridine
CID 167433763
2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005901
5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136715427
5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136999475

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one (CID 136715409) is 2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(-c2ncccc2Br)n1.
What is the InChIKey of 2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is USJPDMBTBBPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-2-4-8-7-10(17)16-12(15-8)11-9(13)5-3-6-14-11/h3,5-7H,2,4H2,1H3,(H,15,16,17).
What are the key properties of 2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one?
2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 294.15 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136715409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).