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

C9H13N3O3 — CID 43428137

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

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

N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 43428137) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID43428137
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H13N3O3/c1-7(13)5-11-8(14)6-12-4-2-3-10-9(12)15/h2-4,7,13H,5-6H2,1H3,(H,11,14)
InChIKeyBFAIIYDBEHZHIS-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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Related Compounds

N-(2-ethoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 122132565
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 103770132
2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113255795
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 113462689
N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39877725
N-butyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 39889719
N-(3-methoxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39891646
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-2-one
CID 43165931
1-[2-Hydroxy-3-(propylamino)propyl]pyrimidin-2-one
CID 43165932
1-[3-(Ethylamino)-2-hydroxypropyl]pyrimidin-2-one
CID 43165933
1-[2-Hydroxy-3-(methylamino)propyl]pyrimidin-2-one
CID 43187947
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428125

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 43428137) is N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide is CC(O)CNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is BFAIIYDBEHZHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-7(13)5-11-8(14)6-12-4-2-3-10-9(12)15/h2-4,7,13H,5-6H2,1H3,(H,11,14).
What are the key properties of N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(2-hydroxypropyl)-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-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 43428137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).