6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C10H13N3O3 — CID 110849534

IUPAC6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc[nH]c1=O
InChIInChI=1S/C10H13N3O3/c14-9(8-5-11-6-13-10(8)15)12-4-7-2-1-3-16-7/h5-7H,1-4H2,(H,12,14)(H,11,13,15)
InChIKeyFLUFOMWARHFQIR-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.32
Rot. Bonds3

About 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide

6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 110849534) 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-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID110849534
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc[nH]c1=O
InChIInChI=1S/C10H13N3O3/c14-9(8-5-11-6-13-10(8)15)12-4-7-2-1-3-16-7/h5-7H,1-4H2,(H,12,14)(H,11,13,15)
InChIKeyFLUFOMWARHFQIR-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-5-carboxamide?
The IUPAC name of 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 110849534) is 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is O=C(NCC1CCCO1)c1cnc[nH]c1=O.
What is the InChIKey of 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is FLUFOMWARHFQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9(8-5-11-6-13-10(8)15)12-4-7-2-1-3-16-7/h5-7H,1-4H2,(H,12,14)(H,11,13,15).
What are the key properties of 6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 110849534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).