2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide

C9H13N3O2 — CID 60758847

IUPAC2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H13N3O2/c1-7(2)11-8(13)6-12-5-3-4-10-9(12)14/h3-5,7H,6H2,1-2H3,(H,11,13)
InChIKeyVCQJJBPOCGDPHG-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.23
Rot. Bonds3

About 2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide

2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 60758847) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
PubChem CID60758847
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H13N3O2/c1-7(2)11-8(13)6-12-5-3-4-10-9(12)14/h3-5,7H,6H2,1-2H3,(H,11,13)
InChIKeyVCQJJBPOCGDPHG-UHFFFAOYSA-N
XLogP-0.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 122132565
2,2-dimethyl-N-[2-(2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]propanamide
CID 131703148
2-(2-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 40205261
2-(2-Oxopyrimidin-1-yl)acetamide
CID 43350582
2-(2H-pyrimidin-1-yl)propanamide
CID 69856132
2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide
CID 70337134
7-Methyl-8,9a-dihydropyrazino[1,2-a]pyrimidin-9-one
CID 89304798
2-oxo-N-propan-2-yl-1H-pyrimidine-6-carboxamide
CID 123835953
2-methyl-1H-pyrimidine-2-carboxamide
CID 140047876
N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide
CID 141144618
2H-pyrimidine-1,2-dicarboxamide
CID 141442073
N-methyl-2-(methylamino)-N-[1-[(Z)-prop-2-enylideneamino]ethenyl]acetamide
CID 143325146

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (CID 60758847) is 2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cccnc1=O.
What is the InChIKey of 2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is VCQJJBPOCGDPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7(2)11-8(13)6-12-5-3-4-10-9(12)14/h3-5,7H,6H2,1-2H3,(H,11,13).
What are the key properties of 2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 195.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 60758847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).