2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide

C11H12N4O3S — CID 135404092

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1
InChIInChI=1S/C11H12N4O3S/c12-8-4-9(16)15-11(14-8)19-6-10(17)13-5-7-2-1-3-18-7/h1-4H,5-6H2,(H,13,17)(H3,12,14,15,16)
InChIKeyCCDHGZROPTVSPY-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.35
Rot. Bonds5

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 135404092) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID135404092
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1
InChIInChI=1S/C11H12N4O3S/c12-8-4-9(16)15-11(14-8)19-6-10(17)13-5-7-2-1-3-18-7/h1-4H,5-6H2,(H,13,17)(H3,12,14,15,16)
InChIKeyCCDHGZROPTVSPY-UHFFFAOYSA-N
XLogP0.35
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
4-Amino-3-ET-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 3245795
N-(furan-2-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860102
3-(Furan-2-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
CID 23724183
N-(4-amino-2-((2-hydroxyethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135831405
N-(3-acetyl-2-(2-furyl)-1,3,4-thiadiazolin-5-yl)acetamide
CID 3676154
N-(2-furylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1,6-dihydropyrimidin-2-yl)thio]acetamide
CID 5058790
3-Allyl-4-amino-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752647
2-(Ethylamino)-3-{(Z)-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-A]pyrimidin-4-one
CID 1604525
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 650676
N-Furan-2-ylmethyl-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-acetamide
CID 653402
N-Furan-2-ylmethyl-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655043

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 135404092) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is Nc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CCDHGZROPTVSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c12-8-4-9(16)15-11(14-8)19-6-10(17)13-5-7-2-1-3-18-7/h1-4H,5-6H2,(H,13,17)(H3,12,14,15,16).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 280.31 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 135404092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).