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

C11H12N4O4S — CID 135831405

IUPACN-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESNc1nc(SCCO)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C11H12N4O4S/c12-8-7(13-9(17)6-2-1-4-19-6)10(18)15-11(14-8)20-5-3-16/h1-2,4,16H,3,5H2,(H,13,17)(H3,12,14,15,18)
InChIKeyYTJPVBOQWMNFDH-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.28
Rot. Bonds5

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

N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide (PubChem CID 135831405) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
PubChem CID135831405
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC NameN-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESNc1nc(SCCO)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C11H12N4O4S/c12-8-7(13-9(17)6-2-1-4-19-6)10(18)15-11(14-8)20-5-3-16/h1-2,4,16H,3,5H2,(H,13,17)(H3,12,14,15,18)
InChIKeyYTJPVBOQWMNFDH-UHFFFAOYSA-N
XLogP0.28
TPSA134.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860102
N-(2-furylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1,6-dihydropyrimidin-2-yl)thio]acetamide
CID 5058790
Benzyl 2-((4-amino-5-(furan-2-carboxamido)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetate
CID 135449175
N-(4-amino-6-oxo-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135463297
N-(4-amino-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)-5-bromofuran-2-carboxamide
CID 135701170
N-(2-((2-((4-acetamidophenyl)amino)-2-oxoethyl)thio)-4-amino-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135900555
2-((4-Amino-5-(furan-2-carboxamido)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetic acid
CID 135701157
2-{[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]thio}-N-(2-furylmethyl)acetamide
CID 3235594
2-[(5-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)thio]-N-(2-furylmethyl)acetamide
CID 3244369
methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate
CID 51032933
N-(furan-2-ylmethyl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135404091
N-(5-methyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-furamide
CID 135449187

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide (CID 135831405) is N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide is Nc1nc(SCCO)[nH]c(=O)c1NC(=O)c1ccco1.
What is the InChIKey of N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is YTJPVBOQWMNFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c12-8-7(13-9(17)6-2-1-4-19-6)10(18)15-11(14-8)20-5-3-16/h1-2,4,16H,3,5H2,(H,13,17)(H3,12,14,15,18).
What are the key properties of N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 135831405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).