methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate

C14H17N3O3 — CID 2917533

IUPACmethyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCN1C(=O)NC(c2cccnc2)C(C(=O)OC)=C1C
InChIInChI=1S/C14H17N3O3/c1-4-17-9(2)11(13(18)20-3)12(16-14(17)19)10-6-5-7-15-8-10/h5-8,12H,4H2,1-3H3,(H,16,19)
InChIKeyOLTVUSSSEQRDLG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.61
Rot. Bonds3

About methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate

methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 2917533) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate
PubChem CID2917533
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCN1C(=O)NC(c2cccnc2)C(C(=O)OC)=C1C
InChIInChI=1S/C14H17N3O3/c1-4-17-9(2)11(13(18)20-3)12(16-14(17)19)10-6-5-7-15-8-10/h5-8,12H,4H2,1-3H3,(H,16,19)
InChIKeyOLTVUSSSEQRDLG-UHFFFAOYSA-N
XLogP1.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate (CID 2917533) is methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate is CCN1C(=O)NC(c2cccnc2)C(C(=O)OC)=C1C.
What is the InChIKey of methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is OLTVUSSSEQRDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-17-9(2)11(13(18)20-3)12(16-14(17)19)10-6-5-7-15-8-10/h5-8,12H,4H2,1-3H3,(H,16,19).
What are the key properties of methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate?
methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 2917533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).