N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

C13H15N5O2S — CID 121121310

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1cncn(CCNC(=O)CSc2ncccn2)c1=O
InChIInChI=1S/C13H15N5O2S/c1-10-7-14-9-18(12(10)20)6-5-15-11(19)8-21-13-16-3-2-4-17-13/h2-4,7,9H,5-6,8H2,1H3,(H,15,19)
InChIKeyKQXDRRHJUOJZTM-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.25
Rot. Bonds6

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 121121310) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID121121310
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1cncn(CCNC(=O)CSc2ncccn2)c1=O
InChIInChI=1S/C13H15N5O2S/c1-10-7-14-9-18(12(10)20)6-5-15-11(19)8-21-13-16-3-2-4-17-13/h2-4,7,9H,5-6,8H2,1H3,(H,15,19)
InChIKeyKQXDRRHJUOJZTM-UHFFFAOYSA-N
XLogP0.25
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2403031
N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3691663
N-cyclopentyl-2-pyrimidin-2-ylsulfanylpropanamide
CID 16318744
N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2474912
2,2-dimethyl-N-[2,2,2-trichloro-1-(2-pyrimidinylthio)ethyl]propanamide
CID 3090180
6-Amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 8898403
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-2-pyrimidinyl-
CID 13379284
3-Methylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 8010875
N-[2-(pyrimidin-2-ylamino)ethyl]thiomorpholine-4-carboxamide
CID 45832118
N-tert-butyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 702529
2-[(1-Allyl-6-amino-4-oxo-1,4-dihydro-2-pyrimidinyl)sulfanyl]-N~1~-(2-pyrimidinyl)acetamide
CID 5086854
[2-(Pyrimidin-2-ylsulfanyl)-acetyl]-urea
CID 592296

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 121121310) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is Cc1cncn(CCNC(=O)CSc2ncccn2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is KQXDRRHJUOJZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-10-7-14-9-18(12(10)20)6-5-15-11(19)8-21-13-16-3-2-4-17-13/h2-4,7,9H,5-6,8H2,1H3,(H,15,19).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 305.36 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 121121310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).