6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one

C14H18N2O2S — CID 162677251

IUPAC6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)CC(C)C)C(c2ccsc2)NC(=O)N1
InChIInChI=1S/C14H18N2O2S/c1-8(2)6-11(17)12-9(3)15-14(18)16-13(12)10-4-5-19-7-10/h4-5,7-8,13H,6H2,1-3H3,(H2,15,16,18)
InChIKeyXECOLIGLVGXJMC-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.99
Rot. Bonds4

About 6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one

6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 162677251) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID162677251
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)CC(C)C)C(c2ccsc2)NC(=O)N1
InChIInChI=1S/C14H18N2O2S/c1-8(2)6-11(17)12-9(3)15-14(18)16-13(12)10-4-5-19-7-10/h4-5,7-8,13H,6H2,1-3H3,(H2,15,16,18)
InChIKeyXECOLIGLVGXJMC-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 162677251) is 6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)CC(C)C)C(c2ccsc2)NC(=O)N1.
What is the InChIKey of 6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is XECOLIGLVGXJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8(2)6-11(17)12-9(3)15-14(18)16-13(12)10-4-5-19-7-10/h4-5,7-8,13H,6H2,1-3H3,(H2,15,16,18).
What are the key properties of 6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one?
6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 162677251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).