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

C13H16N4O3S — CID 135449149

IUPACN-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide
SMILESCCCCSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1
InChIInChI=1S/C13H16N4O3S/c1-2-3-7-21-13-16-10(14)9(12(19)17-13)15-11(18)8-5-4-6-20-8/h4-6H,2-3,7H2,1H3,(H,15,18)(H3,14,16,17,19)
InChIKeyJGPMCZMLDWRTOZ-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.09
Rot. Bonds6

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

N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide (PubChem CID 135449149) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide
PubChem CID135449149
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide
SMILESCCCCSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1
InChIInChI=1S/C13H16N4O3S/c1-2-3-7-21-13-16-10(14)9(12(19)17-13)15-11(18)8-5-4-6-20-8/h4-6H,2-3,7H2,1H3,(H,15,18)(H3,14,16,17,19)
InChIKeyJGPMCZMLDWRTOZ-UHFFFAOYSA-N
XLogP2.09
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-6-oxo-2-propylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide
CID 135516367
N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135701152
(2S)-2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate
CID 135831409
N-[4-amino-2-(2,4-dioxopentan-3-ylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135478610
N-[4-amino-2-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135733501
N-[6-oxo-2-propylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-4-yl]furan-2-carboxamide
CID 135701361
N-[4-amino-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135446521
N-[4-amino-6-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135529335
N-(4-amino-6-oxo-2-propylsulfanyl-1H-pyrimidin-5-yl)-4-fluorobenzamide
CID 135714808
N-[4-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135480854
N-[4-amino-2-(2-methoxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714732
N-[4-amino-2-(3-methylbutylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714725

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide (CID 135449149) is N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide is CCCCSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1.
What is the InChIKey of N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide?
The InChIKey is JGPMCZMLDWRTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-2-3-7-21-13-16-10(14)9(12(19)17-13)15-11(18)8-5-4-6-20-8/h4-6H,2-3,7H2,1H3,(H,15,18)(H3,14,16,17,19).
What are the key properties of N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide?
N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 135449149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).