N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide

C11H10N4O4S — CID 71778707

IUPACN-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide
SMILESCn1c(N)c(C(=S)NC(=O)c2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C11H10N4O4S/c1-15-7(12)6(9(17)14-11(15)18)10(20)13-8(16)5-3-2-4-19-5/h2-4H,12H2,1H3,(H,13,16,20)(H,14,17,18)
InChIKeyCBFUTGJJGCRXER-UHFFFAOYSA-N
MW294.29 g/mol
LogP-0.65
Rot. Bonds2

About N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide

N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide (PubChem CID 71778707) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide
PubChem CID71778707
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC NameN-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide
SMILESCn1c(N)c(C(=S)NC(=O)c2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C11H10N4O4S/c1-15-7(12)6(9(17)14-11(15)18)10(20)13-8(16)5-3-2-4-19-5/h2-4H,12H2,1H3,(H,13,16,20)(H,14,17,18)
InChIKeyCBFUTGJJGCRXER-UHFFFAOYSA-N
XLogP-0.65
TPSA123.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide?
The IUPAC name of N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide (CID 71778707) is N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide?
The canonical SMILES for N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide is Cn1c(N)c(C(=S)NC(=O)c2ccco2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide?
The InChIKey is CBFUTGJJGCRXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c1-15-7(12)6(9(17)14-11(15)18)10(20)13-8(16)5-3-2-4-19-5/h2-4H,12H2,1H3,(H,13,16,20)(H,14,17,18).
What are the key properties of N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide?
N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide has a molecular weight of 294.29 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbothioyl)furan-2-carboxamide is sourced from PubChem (CID 71778707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).