2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate

C13H13N3O3 — CID 71907464

IUPAC2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate
SMILESCc1cc(C(=O)OCCn2ccccc2=O)ncn1
InChIInChI=1S/C13H13N3O3/c1-10-8-11(15-9-14-10)13(18)19-7-6-16-5-3-2-4-12(16)17/h2-5,8-9H,6-7H2,1H3
InChIKeyFUKFFUHIOGHGQS-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.80
Rot. Bonds4

About 2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate

2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate (PubChem CID 71907464) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate
PubChem CID71907464
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate
SMILESCc1cc(C(=O)OCCn2ccccc2=O)ncn1
InChIInChI=1S/C13H13N3O3/c1-10-8-11(15-9-14-10)13(18)19-7-6-16-5-3-2-4-12(16)17/h2-5,8-9H,6-7H2,1H3
InChIKeyFUKFFUHIOGHGQS-UHFFFAOYSA-N
XLogP0.80
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate?
The IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate (CID 71907464) is 2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate is Cc1cc(C(=O)OCCn2ccccc2=O)ncn1.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate?
The InChIKey is FUKFFUHIOGHGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-10-8-11(15-9-14-10)13(18)19-7-6-16-5-3-2-4-12(16)17/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate?
2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 71907464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).