5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one

C14H16N2O2S — CID 66065958

IUPAC5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CSc2ccc(C)cc2)[nH]c1=O
InChIInChI=1S/C14H16N2O2S/c1-3-11-13(17)15-12(16-14(11)18)8-19-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyRHNPCMDPTWRCMD-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.64
Rot. Bonds4

About 5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one (PubChem CID 66065958) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
PubChem CID66065958
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CSc2ccc(C)cc2)[nH]c1=O
InChIInChI=1S/C14H16N2O2S/c1-3-11-13(17)15-12(16-14(11)18)8-19-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyRHNPCMDPTWRCMD-UHFFFAOYSA-N
XLogP2.64
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one (CID 66065958) is 5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one is CCc1c(O)nc(CSc2ccc(C)cc2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one?
The InChIKey is RHNPCMDPTWRCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-11-13(17)15-12(16-14(11)18)8-19-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one has a molecular weight of 276.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 66065958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).