N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide

C10H15N3O3 — CID 141405072

IUPACN-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-7(2)13(3-4-14)10(16)8-5-9(15)12-6-11-8/h5-7,14H,3-4H2,1-2H3,(H,11,12,15)
InChIKeySJUYEAGMKANQBN-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.39
Rot. Bonds4

About N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide

N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 141405072) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID141405072
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-7(2)13(3-4-14)10(16)8-5-9(15)12-6-11-8/h5-7,14H,3-4H2,1-2H3,(H,11,12,15)
InChIKeySJUYEAGMKANQBN-UHFFFAOYSA-N
XLogP-0.39
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-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-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide (CID 141405072) is N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide is CC(C)N(CCO)C(=O)c1cc(=O)[nH]cn1.
What is the InChIKey of N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is SJUYEAGMKANQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)13(3-4-14)10(16)8-5-9(15)12-6-11-8/h5-7,14H,3-4H2,1-2H3,(H,11,12,15).
What are the key properties of N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 141405072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).