N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C11H12N4O5 — CID 107261163

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NCC(O)C(N)=O
InChIInChI=1S/C11H12N4O5/c1-4-6(9(18)13-2-5(16)8(12)17)7-10(19)14-3-15-11(7)20-4/h3,5,16H,2H2,1H3,(H2,12,17)(H,13,18)(H,14,15,19)
InChIKeyCHTJRXQRMYFDNY-UHFFFAOYSA-N
MW280.24 g/mol
LogP-1.60
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 107261163) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID107261163
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NCC(O)C(N)=O
InChIInChI=1S/C11H12N4O5/c1-4-6(9(18)13-2-5(16)8(12)17)7-10(19)14-3-15-11(7)20-4/h3,5,16H,2H2,1H3,(H2,12,17)(H,13,18)(H,14,15,19)
InChIKeyCHTJRXQRMYFDNY-UHFFFAOYSA-N
XLogP-1.60
TPSA151.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 107261163) is N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CHTJRXQRMYFDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-4-6(9(18)13-2-5(16)8(12)17)7-10(19)14-3-15-11(7)20-4/h3,5,16H,2H2,1H3,(H2,12,17)(H,13,18)(H,14,15,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 280.24 g/mol, XLogP of -1.60, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 107261163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).