4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one

C15H24N2O2S — CID 135955696

IUPAC4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
SMILESCCc1c(CC2CCCCC2)nc(SCCO)[nH]c1=O
InChIInChI=1S/C15H24N2O2S/c1-2-12-13(10-11-6-4-3-5-7-11)16-15(17-14(12)19)20-9-8-18/h11,18H,2-10H2,1H3,(H,16,17,19)
InChIKeyKKSGONBDOHODRO-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.54
Rot. Bonds6

About 4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one

4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 135955696) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID135955696
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
SMILESCCc1c(CC2CCCCC2)nc(SCCO)[nH]c1=O
InChIInChI=1S/C15H24N2O2S/c1-2-12-13(10-11-6-4-3-5-7-11)16-15(17-14(12)19)20-9-8-18/h11,18H,2-10H2,1H3,(H,16,17,19)
InChIKeyKKSGONBDOHODRO-UHFFFAOYSA-N
XLogP2.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one (CID 135955696) is 4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one is CCc1c(CC2CCCCC2)nc(SCCO)[nH]c1=O.
What is the InChIKey of 4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is KKSGONBDOHODRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-12-13(10-11-6-4-3-5-7-11)16-15(17-14(12)19)20-9-8-18/h11,18H,2-10H2,1H3,(H,16,17,19).
What are the key properties of 4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 296.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-5-ethyl-2-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135955696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).