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

C11H9N3O — CID 114877527

IUPAC(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
SMILESCc1ccncc1C(=O)c1cncnc1
InChIInChI=1S/C11H9N3O/c1-8-2-3-12-6-10(8)11(15)9-4-13-7-14-5-9/h2-7H,1H3
InChIKeyBTXMHYPYJTXPTA-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.41
Rot. Bonds2

About (4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone

(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone (PubChem CID 114877527) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
PubChem CID114877527
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
SMILESCc1ccncc1C(=O)c1cncnc1
InChIInChI=1S/C11H9N3O/c1-8-2-3-12-6-10(8)11(15)9-4-13-7-14-5-9/h2-7H,1H3
InChIKeyBTXMHYPYJTXPTA-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

(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 114877477
pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone
CID 102923150
4-methylpyridine-3-carbonyl chloride
CID 22386188
(3-ethylphenyl)-(4-methyl-3-pyridinyl)methanone
CID 114877566
[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone
CID 116601966
(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 115781346
(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone
CID 75406822
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone
CID 107288338
methyl 4-methylpyridine-3-carboxylate
CID 10877301
(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone
CID 104789316
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889
(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone
CID 114329651

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone?
The IUPAC name of (4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone (CID 114877527) is (4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone is Cc1ccncc1C(=O)c1cncnc1.
What is the InChIKey of (4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone?
The InChIKey is BTXMHYPYJTXPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-8-2-3-12-6-10(8)11(15)9-4-13-7-14-5-9/h2-7H,1H3.
What are the key properties of (4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone?
(4-methyl-3-pyridinyl)-pyrimidin-5-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 (4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 114877527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).