2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid

C11H10N4O5S — CID 135701157

IUPAC2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid
SMILESNc1nc(SCC(=O)O)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C11H10N4O5S/c12-8-7(13-9(18)5-2-1-3-20-5)10(19)15-11(14-8)21-4-6(16)17/h1-3H,4H2,(H,13,18)(H,16,17)(H3,12,14,15,19)
InChIKeyZTCVOWDJHVDFPW-UHFFFAOYSA-N
MW310.29 g/mol
LogP0.37
Rot. Bonds5

About 2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid

2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid (PubChem CID 135701157) has the molecular formula C11H10N4O5S and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid
PubChem CID135701157
Molecular FormulaC11H10N4O5S
Molecular Weight310.29 g/mol
Exact Mass310.04
IUPAC Name2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid
SMILESNc1nc(SCC(=O)O)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C11H10N4O5S/c12-8-7(13-9(18)5-2-1-3-20-5)10(19)15-11(14-8)21-4-6(16)17/h1-3H,4H2,(H,13,18)(H,16,17)(H3,12,14,15,19)
InChIKeyZTCVOWDJHVDFPW-UHFFFAOYSA-N
XLogP0.37
TPSA151.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid (CID 135701157) is 2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid is Nc1nc(SCC(=O)O)[nH]c(=O)c1NC(=O)c1ccco1.
What is the InChIKey of 2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid?
The InChIKey is ZTCVOWDJHVDFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5S/c12-8-7(13-9(18)5-2-1-3-20-5)10(19)15-11(14-8)21-4-6(16)17/h1-3H,4H2,(H,13,18)(H,16,17)(H3,12,14,15,19).
What are the key properties of 2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid?
2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid has a molecular weight of 310.29 g/mol, XLogP of 0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(furan-2-carbonylamino)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 135701157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).