N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide

C12H12N4O3S — CID 135427826

IUPACN-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide
SMILESC=CCSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1
InChIInChI=1S/C12H12N4O3S/c1-2-6-20-12-15-9(13)8(11(18)16-12)14-10(17)7-4-3-5-19-7/h2-5H,1,6H2,(H,14,17)(H3,13,15,16,18)
InChIKeyVNDXJNARGMTBJA-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.48
Rot. Bonds5

About N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide

N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide (PubChem CID 135427826) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide
PubChem CID135427826
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC NameN-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide
SMILESC=CCSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1
InChIInChI=1S/C12H12N4O3S/c1-2-6-20-12-15-9(13)8(11(18)16-12)14-10(17)7-4-3-5-19-7/h2-5H,1,6H2,(H,14,17)(H3,13,15,16,18)
InChIKeyVNDXJNARGMTBJA-UHFFFAOYSA-N
XLogP1.48
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide (CID 135427826) is N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide is C=CCSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1.
What is the InChIKey of N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide?
The InChIKey is VNDXJNARGMTBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-2-6-20-12-15-9(13)8(11(18)16-12)14-10(17)7-4-3-5-19-7/h2-5H,1,6H2,(H,14,17)(H3,13,15,16,18).
What are the key properties of N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide?
N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 135427826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).