N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide

C12H17N3O4 — CID 79039361

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1(O)CCOCC1
InChIInChI=1S/C12H17N3O4/c16-10(8-15-5-1-4-13-11(15)17)14-9-12(18)2-6-19-7-3-12/h1,4-5,18H,2-3,6-9H2,(H,14,16)
InChIKeyUZUMSGPDXLBPPS-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.10
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 79039361) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID79039361
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1(O)CCOCC1
InChIInChI=1S/C12H17N3O4/c16-10(8-15-5-1-4-13-11(15)17)14-9-12(18)2-6-19-7-3-12/h1,4-5,18H,2-3,6-9H2,(H,14,16)
InChIKeyUZUMSGPDXLBPPS-UHFFFAOYSA-N
XLogP-1.10
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 79039361) is N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is UZUMSGPDXLBPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-10(8-15-5-1-4-13-11(15)17)14-9-12(18)2-6-19-7-3-12/h1,4-5,18H,2-3,6-9H2,(H,14,16).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 267.28 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 79039361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).