ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C14H17N3O4 — CID 90486423

IUPACethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)nc1
InChIInChI=1S/C14H17N3O4/c1-4-21-13(18)11-8(2)16-14(19)17-12(11)9-5-6-10(20-3)15-7-9/h5-7,12H,4H2,1-3H3,(H2,16,17,19)
InChIKeyHZKHPVXTZFNRJP-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.28
Rot. Bonds4

About ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 90486423) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID90486423
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)nc1
InChIInChI=1S/C14H17N3O4/c1-4-21-13(18)11-8(2)16-14(19)17-12(11)9-5-6-10(20-3)15-7-9/h5-7,12H,4H2,1-3H3,(H2,16,17,19)
InChIKeyHZKHPVXTZFNRJP-UHFFFAOYSA-N
XLogP1.28
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 90486423) is ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)nc1.
What is the InChIKey of ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is HZKHPVXTZFNRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-21-13(18)11-8(2)16-14(19)17-12(11)9-5-6-10(20-3)15-7-9/h5-7,12H,4H2,1-3H3,(H2,16,17,19).
What are the key properties of ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-methoxy-3-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 90486423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).