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

C15H17N5O4S — CID 135463297

IUPACN-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESNc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C15H17N5O4S/c16-12-11(17-13(22)9-4-3-7-24-9)14(23)19-15(18-12)25-8-10(21)20-5-1-2-6-20/h3-4,7H,1-2,5-6,8H2,(H,17,22)(H3,16,18,19,23)
InChIKeyJZCQBYLYFIZFIP-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.91
Rot. Bonds5

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

N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide (PubChem CID 135463297) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide
PubChem CID135463297
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC NameN-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESNc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C15H17N5O4S/c16-12-11(17-13(22)9-4-3-7-24-9)14(23)19-15(18-12)25-8-10(21)20-5-1-2-6-20/h3-4,7H,1-2,5-6,8H2,(H,17,22)(H3,16,18,19,23)
InChIKeyJZCQBYLYFIZFIP-UHFFFAOYSA-N
XLogP0.91
TPSA134.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide (CID 135463297) is N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide is Nc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1NC(=O)c1ccco1.
What is the InChIKey of N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is JZCQBYLYFIZFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c16-12-11(17-13(22)9-4-3-7-24-9)14(23)19-15(18-12)25-8-10(21)20-5-1-2-6-20/h3-4,7H,1-2,5-6,8H2,(H,17,22)(H3,16,18,19,23).
What are the key properties of N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide?
N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 135463297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).