2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide

C9H13N3O2 — CID 135973607

IUPAC2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide
SMILESCC(C)c1cc(=O)[nH]c(CC(N)=O)n1
InChIInChI=1S/C9H13N3O2/c1-5(2)6-3-9(14)12-8(11-6)4-7(10)13/h3,5H,4H2,1-2H3,(H2,10,13)(H,11,12,14)
InChIKeyWYEYUTIXXFIWKM-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.08
Rot. Bonds3

About 2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide

2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide (PubChem CID 135973607) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide
PubChem CID135973607
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide
SMILESCC(C)c1cc(=O)[nH]c(CC(N)=O)n1
InChIInChI=1S/C9H13N3O2/c1-5(2)6-3-9(14)12-8(11-6)4-7(10)13/h3,5H,4H2,1-2H3,(H2,10,13)(H,11,12,14)
InChIKeyWYEYUTIXXFIWKM-UHFFFAOYSA-N
XLogP-0.08
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea
CID 135553588
ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide
CID 143594658
2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 135973672
(2S)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 135557037
2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964507
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136973538
N-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)nitramide
CID 136668766
N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135491368
pentyl 2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 136684934
2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136925187
2-(5-hydroxypentylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780006
2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779799

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of 2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide (CID 135973607) is 2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide is CC(C)c1cc(=O)[nH]c(CC(N)=O)n1.
What is the InChIKey of 2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide?
The InChIKey is WYEYUTIXXFIWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(2)6-3-9(14)12-8(11-6)4-7(10)13/h3,5H,4H2,1-2H3,(H2,10,13)(H,11,12,14).
What are the key properties of 2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide?
2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide has a molecular weight of 195.22 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 135973607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).