2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone

C12H11N3O — CID 114552859

IUPAC2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
SMILESCc1cccnc1CC(=O)c1ncccn1
InChIInChI=1S/C12H11N3O/c1-9-4-2-5-13-10(9)8-11(16)12-14-6-3-7-15-12/h2-7H,8H2,1H3
InChIKeyXYDMTIBUYNLCPX-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.61
Rot. Bonds3

About 2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone

2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone (PubChem CID 114552859) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
PubChem CID114552859
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
SMILESCc1cccnc1CC(=O)c1ncccn1
InChIInChI=1S/C12H11N3O/c1-9-4-2-5-13-10(9)8-11(16)12-14-6-3-7-15-12/h2-7H,8H2,1H3
InChIKeyXYDMTIBUYNLCPX-UHFFFAOYSA-N
XLogP1.61
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107982894
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 114821426
1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 79094528
1-(5-iodothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 79693070
1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447636
N-(1-aminopropan-2-yl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148434
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447836
1-(3-methyl-2-pyridinyl)decan-2-one
CID 66447638

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone?
The IUPAC name of 2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone (CID 114552859) is 2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone is Cc1cccnc1CC(=O)c1ncccn1.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone?
The InChIKey is XYDMTIBUYNLCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-9-4-2-5-13-10(9)8-11(16)12-14-6-3-7-15-12/h2-7H,8H2,1H3.
What are the key properties of 2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone?
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone has a molecular weight of 213.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone is sourced from PubChem (CID 114552859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).