N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide

C10H13N3O2 — CID 1475982

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C10H13N3O2/c1-6-4-7(2)12-10(11-6)13-9(15)5-8(3)14/h4H,5H2,1-3H3,(H,11,12,13,15)
InChIKeyXBDNVQITHLXLCA-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.01
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide

N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide (PubChem CID 1475982) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide
PubChem CID1475982
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C10H13N3O2/c1-6-4-7(2)12-10(11-6)13-9(15)5-8(3)14/h4H,5H2,1-3H3,(H,11,12,13,15)
InChIKeyXBDNVQITHLXLCA-UHFFFAOYSA-N
XLogP1.01
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoic Acid
CID 735547
N-(4,6-dimethylpyrimidin-2-yl)-2-ethoxyacetamide
CID 1825627
N-{(cyclohexylamino)[(4,6-dimethyl-2-pyrimidinyl)amino]methylene}-3-oxobutanamide
CID 2952393
Urea, (4,6-dimethyl-2-pyrimidinyl)-
CID 156499
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
2-Acetoacetamido-4-methylpyrimidine
CID 573260
N-(4,6-dimethyl-2-pyrimidinyl)-2-methylpropanamide
CID 1234520
5-{amino[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135420782
N-(4,6-dimethyl-pyrimidin-2-yl) formamide
CID 21651744
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 16442200
N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
CID 43616346

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide (CID 1475982) is N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide is CC(=O)CC(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide?
The InChIKey is XBDNVQITHLXLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-4-7(2)12-10(11-6)13-9(15)5-8(3)14/h4H,5H2,1-3H3,(H,11,12,13,15).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide?
N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide has a molecular weight of 207.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide is sourced from PubChem (CID 1475982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).