N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C9H13N3O4 — CID 43416631

IUPACN-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCC(CO)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O4/c1-2-5(4-13)10-8(15)6-3-7(14)12-9(16)11-6/h3,5,13H,2,4H2,1H3,(H,10,15)(H2,11,12,14,16)
InChIKeySRGWOVNUTCPIGW-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.44
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 43416631) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID43416631
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC NameN-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCC(CO)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O4/c1-2-5(4-13)10-8(15)6-3-7(14)12-9(16)11-6/h3,5,13H,2,4H2,1H3,(H,10,15)(H2,11,12,14,16)
InChIKeySRGWOVNUTCPIGW-UHFFFAOYSA-N
XLogP-1.44
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide 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-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 43416631) is N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCC(CO)NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is SRGWOVNUTCPIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-2-5(4-13)10-8(15)6-3-7(14)12-9(16)11-6/h3,5,13H,2,4H2,1H3,(H,10,15)(H2,11,12,14,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 43416631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).