N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C11H17N5O2S — CID 135548953

IUPACN-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESNc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1N
InChIInChI=1S/C11H17N5O2S/c12-8-9(13)15-11(16-10(8)18)19-5-7(17)14-6-3-1-2-4-6/h6H,1-5,12H2,(H,14,17)(H3,13,15,16,18)
InChIKeyGCBQEFALNGJADY-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.09
Rot. Bonds4

About N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135548953) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135548953
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESNc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1N
InChIInChI=1S/C11H17N5O2S/c12-8-9(13)15-11(16-10(8)18)19-5-7(17)14-6-3-1-2-4-6/h6H,1-5,12H2,(H,14,17)(H3,13,15,16,18)
InChIKeyGCBQEFALNGJADY-UHFFFAOYSA-N
XLogP0.09
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135427414
4,5-diamino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135772493
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 135435924
Acetamide, 2-(4,5-diamino-6-hydroxy-2-pyrimidylthio)-N,N-dicyclohexyl-
CID 135577481
6-(Cyclopentylamino)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 136025268
N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 78208570
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide
CID 135428247
N-cyclopentyl-2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetamide
CID 135441947
N-cyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-ethylacetamide
CID 135670533
4,5-diamino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135719406
N-cyclooctyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135755900
4,5-diamino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135768902

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135548953) is N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Nc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1N.
What is the InChIKey of N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is GCBQEFALNGJADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c12-8-9(13)15-11(16-10(8)18)19-5-7(17)14-6-3-1-2-4-6/h6H,1-5,12H2,(H,14,17)(H3,13,15,16,18).
What are the key properties of N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 283.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135548953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).