(5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone

C11H9N3O — CID 115373915

IUPAC(5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone
SMILESCc1cncc(C(=O)c2ncccn2)c1
InChIInChI=1S/C11H9N3O/c1-8-5-9(7-12-6-8)10(15)11-13-3-2-4-14-11/h2-7H,1H3
InChIKeyHEMPNDNWWACKLW-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.41
Rot. Bonds2

About (5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone

(5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone (PubChem CID 115373915) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone
PubChem CID115373915
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name(5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone
SMILESCc1cncc(C(=O)c2ncccn2)c1
InChIInChI=1S/C11H9N3O/c1-8-5-9(7-12-6-8)10(15)11-13-3-2-4-14-11/h2-7H,1H3
InChIKeyHEMPNDNWWACKLW-UHFFFAOYSA-N
XLogP1.41
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone
CID 103443112
(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115374080
(5-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103449
(2-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373956
(3-ethylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105120270
(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
CID 113297046
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(3-fluoro-4-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373910
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone
CID 102802866
(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 107944693
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone?
The IUPAC name of (5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone (CID 115373915) is (5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone is Cc1cncc(C(=O)c2ncccn2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone?
The InChIKey is HEMPNDNWWACKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-8-5-9(7-12-6-8)10(15)11-13-3-2-4-14-11/h2-7H,1H3.
What are the key properties of (5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone?
(5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone has a molecular weight of 199.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 115373915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).