ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

C16H20N2O4 — CID 614956

IUPACethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1ccccc1
InChIInChI=1S/C16H20N2O4/c1-3-22-15(20)13-11(2)18(9-10-19)16(21)17-14(13)12-7-5-4-6-8-12/h4-8,14,19H,3,9-10H2,1-2H3,(H,17,21)
InChIKeyNVJAHKFPABGDEW-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.58
Rot. Bonds5

About ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 614956) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
PubChem CID614956
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1ccccc1
InChIInChI=1S/C16H20N2O4/c1-3-22-15(20)13-11(2)18(9-10-19)16(21)17-14(13)12-7-5-4-6-8-12/h4-8,14,19H,3,9-10H2,1-2H3,(H,17,21)
InChIKeyNVJAHKFPABGDEW-UHFFFAOYSA-N
XLogP1.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate (CID 614956) is ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1ccccc1.
What is the InChIKey of ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is NVJAHKFPABGDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-22-15(20)13-11(2)18(9-10-19)16(21)17-14(13)12-7-5-4-6-8-12/h4-8,14,19H,3,9-10H2,1-2H3,(H,17,21).
What are the key properties of ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate?
ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 614956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).