(6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one

C14H18N2O3S — CID 16759626

IUPAC(6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one
SMILESCOCCN1C(=O)N[C@@H](c2cccs2)C(C(C)=O)=C1C
InChIInChI=1S/C14H18N2O3S/c1-9-12(10(2)17)13(11-5-4-8-20-11)15-14(18)16(9)6-7-19-3/h4-5,8,13H,6-7H2,1-3H3,(H,15,18)/t13-/m0/s1
InChIKeyLGSPJRCGMWDBGH-ZDUSSCGKSA-N
MW294.38 g/mol
LogP2.32
Rot. Bonds5

About (6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one

(6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one (PubChem CID 16759626) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one
PubChem CID16759626
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one
SMILESCOCCN1C(=O)N[C@@H](c2cccs2)C(C(C)=O)=C1C
InChIInChI=1S/C14H18N2O3S/c1-9-12(10(2)17)13(11-5-4-8-20-11)15-14(18)16(9)6-7-19-3/h4-5,8,13H,6-7H2,1-3H3,(H,15,18)/t13-/m0/s1
InChIKeyLGSPJRCGMWDBGH-ZDUSSCGKSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one (CID 16759626) is (6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one is COCCN1C(=O)N[C@@H](c2cccs2)C(C(C)=O)=C1C.
What is the InChIKey of (6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one?
The InChIKey is LGSPJRCGMWDBGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-12(10(2)17)13(11-5-4-8-20-11)15-14(18)16(9)6-7-19-3/h4-5,8,13H,6-7H2,1-3H3,(H,15,18)/t13-/m0/s1.
What are the key properties of (6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one?
(6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one has a molecular weight of 294.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 16759626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).