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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Related Compounds

N-(furan-2-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860102
1-[4-(2-Furylcarbonyl)piperazinyl]-2-(1-methyl(1,2,3,4-tetraazol-5-ylthio))eth an-1-one
CID 1081022
N-(4-amino-2-((2-hydroxyethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135831405
N-(2-furylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1,6-dihydropyrimidin-2-yl)thio]acetamide
CID 5058790
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135448588
(Z)-N-(1-(furan-2-yl)-3-morpholino-3-oxoprop-1-en-2-yl)furan-2-carboxamide
CID 1607515
1-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452362
2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3238900
N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 25162641
Benzyl 2-((4-amino-5-(furan-2-carboxamido)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetate
CID 135449175
(5E)-3-ethyl-5-[[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1999116
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylfuran-2-carboxamide
CID 9506465

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).