5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane

C14H22N2OS — CID 174570764

IUPAC5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane
SMILESC=CCc1nc(=O)[nH]c(C)c1C1CCCCC1.S
InChIInChI=1S/C14H20N2O.H2S/c1-3-7-12-13(10(2)15-14(17)16-12)11-8-5-4-6-9-11;/h3,11H,1,4-9H2,2H3,(H,15,16,17);1H2
InChIKeyMYCZRSMPLQVEEU-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.97
Rot. Bonds3

About 5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane

5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane (PubChem CID 174570764) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane.

Molecular Properties

Compound Name5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane
PubChem CID174570764
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane
SMILESC=CCc1nc(=O)[nH]c(C)c1C1CCCCC1.S
InChIInChI=1S/C14H20N2O.H2S/c1-3-7-12-13(10(2)15-14(17)16-12)11-8-5-4-6-9-11;/h3,11H,1,4-9H2,2H3,(H,15,16,17);1H2
InChIKeyMYCZRSMPLQVEEU-UHFFFAOYSA-N
XLogP2.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane?
The IUPAC name of 5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane (CID 174570764) is 5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane.
What is the SMILES notation for 5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane?
The canonical SMILES for 5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane is C=CCc1nc(=O)[nH]c(C)c1C1CCCCC1.S.
What is the InChIKey of 5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane?
The InChIKey is MYCZRSMPLQVEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.H2S/c1-3-7-12-13(10(2)15-14(17)16-12)11-8-5-4-6-9-11;/h3,11H,1,4-9H2,2H3,(H,15,16,17);1H2.
What are the key properties of 5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane?
5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane has a molecular weight of 266.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-6-methyl-4-prop-2-enyl-1H-pyrimidin-2-one;sulfane is sourced from PubChem (CID 174570764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).