N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C10H13N3O4 — CID 63294445

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCC(O)C1CC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c14-7(5-1-2-5)4-11-9(16)6-3-8(15)13-10(17)12-6/h3,5,7,14H,1-2,4H2,(H,11,16)(H2,12,13,15,17)
InChIKeyINWARIDCVVHUES-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.44
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 63294445) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID63294445
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCC(O)C1CC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c14-7(5-1-2-5)4-11-9(16)6-3-8(15)13-10(17)12-6/h3,5,7,14H,1-2,4H2,(H,11,16)(H2,12,13,15,17)
InChIKeyINWARIDCVVHUES-UHFFFAOYSA-N
XLogP-1.44
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(2-cyclopropyl-2-hydroxyethyl)-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-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 63294445) is N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NCC(O)C1CC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is INWARIDCVVHUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-7(5-1-2-5)4-11-9(16)6-3-8(15)13-10(17)12-6/h3,5,7,14H,1-2,4H2,(H,11,16)(H2,12,13,15,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 239.23 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-(2-cyclopropyl-2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 63294445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).