4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one

C15H24N2OS — CID 141193915

IUPAC4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCSc1nc(CC2CCCCC2)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N2OS/c1-10(2)13-12(9-11-7-5-4-6-8-11)16-15(19-3)17-14(13)18/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyRLBJSARKXMRSGP-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.74
Rot. Bonds4

About 4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one

4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 141193915) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID141193915
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCSc1nc(CC2CCCCC2)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N2OS/c1-10(2)13-12(9-11-7-5-4-6-8-11)16-15(19-3)17-14(13)18/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyRLBJSARKXMRSGP-UHFFFAOYSA-N
XLogP3.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one (CID 141193915) is 4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one is CSc1nc(CC2CCCCC2)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RLBJSARKXMRSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)13-12(9-11-7-5-4-6-8-11)16-15(19-3)17-14(13)18/h10-11H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 280.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 141193915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).