2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one

C14H20N2OS — CID 135956810

IUPAC2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one
SMILESC=CCc1c(CCC)nc(S[C@H](C)C=C)[nH]c1=O
InChIInChI=1S/C14H20N2OS/c1-5-8-11-12(9-6-2)15-14(16-13(11)17)18-10(4)7-3/h5,7,10H,1,3,6,8-9H2,2,4H3,(H,15,16,17)/t10-/m1/s1
InChIKeyCKWHMVJSCONLKK-SNVBAGLBSA-N
MW264.39 g/mol
LogP3.12
Rot. Bonds7

About 2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one

2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135956810) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one
PubChem CID135956810
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one
SMILESC=CCc1c(CCC)nc(S[C@H](C)C=C)[nH]c1=O
InChIInChI=1S/C14H20N2OS/c1-5-8-11-12(9-6-2)15-14(16-13(11)17)18-10(4)7-3/h5,7,10H,1,3,6,8-9H2,2,4H3,(H,15,16,17)/t10-/m1/s1
InChIKeyCKWHMVJSCONLKK-SNVBAGLBSA-N
XLogP3.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one (CID 135956810) is 2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one is C=CCc1c(CCC)nc(S[C@H](C)C=C)[nH]c1=O.
What is the InChIKey of 2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is CKWHMVJSCONLKK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-5-8-11-12(9-6-2)15-14(16-13(11)17)18-10(4)7-3/h5,7,10H,1,3,6,8-9H2,2,4H3,(H,15,16,17)/t10-/m1/s1.
What are the key properties of 2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one?
2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 264.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-but-3-en-2-yl]sulfanyl-5-prop-2-enyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135956810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).