2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide

C12H17N3O2S — CID 135531815

IUPAC2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc(CCC)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O2S/c1-3-5-9-7-10(16)15-12(14-9)18-8-11(17)13-6-4-2/h4,7H,2-3,5-6,8H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyCEAFEVCWZXHKCT-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.12
Rot. Bonds7

About 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide (PubChem CID 135531815) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide
PubChem CID135531815
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc(CCC)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O2S/c1-3-5-9-7-10(16)15-12(14-9)18-8-11(17)13-6-4-2/h4,7H,2-3,5-6,8H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyCEAFEVCWZXHKCT-UHFFFAOYSA-N
XLogP1.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide (CID 135531815) is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide is C=CCNC(=O)CSc1nc(CCC)cc(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The InChIKey is CEAFEVCWZXHKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-5-9-7-10(16)15-12(14-9)18-8-11(17)13-6-4-2/h4,7H,2-3,5-6,8H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide?
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide has a molecular weight of 267.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 135531815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).