6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide

C10H13N3O3 — CID 137147272

IUPAC6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O3/c14-9-4-8(12-6-13-9)10(15)11-5-7-2-1-3-16-7/h4,6-7H,1-3,5H2,(H,11,15)(H,12,13,14)
InChIKeyHVGCRKRBUHLXPU-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.32
Rot. Bonds3

About 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide

6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide (PubChem CID 137147272) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide
PubChem CID137147272
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O3/c14-9-4-8(12-6-13-9)10(15)11-5-7-2-1-3-16-7/h4,6-7H,1-3,5H2,(H,11,15)(H,12,13,14)
InChIKeyHVGCRKRBUHLXPU-UHFFFAOYSA-N
XLogP-0.32
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide (CID 137147272) is 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1cc(=O)[nH]cn1.
What is the InChIKey of 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is HVGCRKRBUHLXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-4-8(12-6-13-9)10(15)11-5-7-2-1-3-16-7/h4,6-7H,1-3,5H2,(H,11,15)(H,12,13,14).
What are the key properties of 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 223.23 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137147272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).