1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one

C13H14N4O — CID 116978067

IUPAC1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one
SMILESCC(=O)CN(C)c1ncc(-c2ccccn2)cn1
InChIInChI=1S/C13H14N4O/c1-10(18)9-17(2)13-15-7-11(8-16-13)12-5-3-4-6-14-12/h3-8H,9H2,1-2H3
InChIKeyCASQVXLSZDJBCG-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.56
Rot. Bonds4

About 1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one

1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one (PubChem CID 116978067) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one
PubChem CID116978067
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one
SMILESCC(=O)CN(C)c1ncc(-c2ccccn2)cn1
InChIInChI=1S/C13H14N4O/c1-10(18)9-17(2)13-15-7-11(8-16-13)12-5-3-4-6-14-12/h3-8H,9H2,1-2H3
InChIKeyCASQVXLSZDJBCG-UHFFFAOYSA-N
XLogP1.56
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate
CID 116978022
N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 116977295
2-phenylpyridine;propan-2-one
CID 174845023
1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one
CID 117044761
2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid
CID 110464860
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid
CID 116975157
N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide
CID 134179299
2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid
CID 116973709
1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
CID 62771013
2-(4-pyridin-2-ylphenyl)acetamide
CID 57447645
N-methyl-N-propan-2-yl-2-(4-pyridin-2-ylphenyl)acetamide
CID 138548882

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one?
The IUPAC name of 1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one (CID 116978067) is 1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one?
The canonical SMILES for 1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one is CC(=O)CN(C)c1ncc(-c2ccccn2)cn1.
What is the InChIKey of 1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one?
The InChIKey is CASQVXLSZDJBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-10(18)9-17(2)13-15-7-11(8-16-13)12-5-3-4-6-14-12/h3-8H,9H2,1-2H3.
What are the key properties of 1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one?
1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one is sourced from PubChem (CID 116978067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).