1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide

C13H20N4OS — CID 79656985

IUPAC1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide
SMILESCc1nc(SC2CCC(N)(C(N)=O)C2)nc(C)c1C
InChIInChI=1S/C13H20N4OS/c1-7-8(2)16-12(17-9(7)3)19-10-4-5-13(15,6-10)11(14)18/h10H,4-6,15H2,1-3H3,(H2,14,18)
InChIKeyLNVNQRSEMMVDKT-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.23
Rot. Bonds3

About 1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide

1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide (PubChem CID 79656985) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide
PubChem CID79656985
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide
SMILESCc1nc(SC2CCC(N)(C(N)=O)C2)nc(C)c1C
InChIInChI=1S/C13H20N4OS/c1-7-8(2)16-12(17-9(7)3)19-10-4-5-13(15,6-10)11(14)18/h10H,4-6,15H2,1-3H3,(H2,14,18)
InChIKeyLNVNQRSEMMVDKT-UHFFFAOYSA-N
XLogP1.23
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2083120
N-carbamoyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 16305133
2-((4,5,6-Trimethylpyrimidin-2-yl)thio)propanamide
CID 16318747
N-tert-butyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8354912
(2S)-N-carbamoyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8355115
(2R)-N-carbamoyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8355118
(2S)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8355135
(2R)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8355138
2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8355341
N-(1-cyanocyclopentyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8391792
(2S)-N-tert-butyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735085
(2R)-N-tert-butyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735086

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide (CID 79656985) is 1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide is Cc1nc(SC2CCC(N)(C(N)=O)C2)nc(C)c1C.
What is the InChIKey of 1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide?
The InChIKey is LNVNQRSEMMVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-7-8(2)16-12(17-9(7)3)19-10-4-5-13(15,6-10)11(14)18/h10H,4-6,15H2,1-3H3,(H2,14,18).
What are the key properties of 1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide?
1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 79656985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).