N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide

C8H11N3O3 — CID 140723004

IUPACN-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOC(CO)NC(=O)c1ccncn1
InChIInChI=1S/C8H11N3O3/c1-14-7(4-12)11-8(13)6-2-3-9-5-10-6/h2-3,5,7,12H,4H2,1H3,(H,11,13)
InChIKeyJRIUCEJDVZZQDZ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.83
Rot. Bonds4

About N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide

N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide (PubChem CID 140723004) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide
PubChem CID140723004
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOC(CO)NC(=O)c1ccncn1
InChIInChI=1S/C8H11N3O3/c1-14-7(4-12)11-8(13)6-2-3-9-5-10-6/h2-3,5,7,12H,4H2,1H3,(H,11,13)
InChIKeyJRIUCEJDVZZQDZ-UHFFFAOYSA-N
XLogP-0.83
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide (CID 140723004) is N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide is COC(CO)NC(=O)c1ccncn1.
What is the InChIKey of N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide?
The InChIKey is JRIUCEJDVZZQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-7(4-12)11-8(13)6-2-3-9-5-10-6/h2-3,5,7,12H,4H2,1H3,(H,11,13).
What are the key properties of N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide?
N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methoxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 140723004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).