N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide

C9H13N3O3 — CID 43428142

IUPACN-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(CO)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H13N3O3/c1-7(6-13)11-8(14)5-12-4-2-3-10-9(12)15/h2-4,7,13H,5-6H2,1H3,(H,11,14)
InChIKeyCFWLTXBAGMXKNH-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.26
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 43428142) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID43428142
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(CO)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H13N3O3/c1-7(6-13)11-8(14)5-12-4-2-3-10-9(12)15/h2-4,7,13H,5-6H2,1H3,(H,11,14)
InChIKeyCFWLTXBAGMXKNH-UHFFFAOYSA-N
XLogP-1.26
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 43428142) is N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide is CC(CO)NC(=O)Cn1cccnc1=O.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is CFWLTXBAGMXKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-7(6-13)11-8(14)5-12-4-2-3-10-9(12)15/h2-4,7,13H,5-6H2,1H3,(H,11,14).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 211.22 g/mol, XLogP of -1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 43428142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).