methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate

C12H17N3O2S — CID 79654095

IUPACmethyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(Sc2ncccn2)C1
InChIInChI=1S/C12H17N3O2S/c1-13-12(10(16)17-2)5-4-9(8-12)18-11-14-6-3-7-15-11/h3,6-7,9,13H,4-5,8H2,1-2H3
InChIKeyUGBFMOARERTNPG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.25
Rot. Bonds4

About methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate

methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate (PubChem CID 79654095) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
PubChem CID79654095
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Namemethyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(Sc2ncccn2)C1
InChIInChI=1S/C12H17N3O2S/c1-13-12(10(16)17-2)5-4-9(8-12)18-11-14-6-3-7-15-11/h3,6-7,9,13H,4-5,8H2,1-2H3
InChIKeyUGBFMOARERTNPG-UHFFFAOYSA-N
XLogP1.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654086
ethyl 1-(ethylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654016
methyl 1-(methylamino)-3-pyrimidin-4-ylsulfanylcyclohexane-1-carboxylate
CID 79633907
methyl 1-(methylamino)-3-(4-nitrophenyl)sulfanylcyclopentane-1-carboxylate
CID 79644953
methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79645439
methyl 1-(methylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclopentane-1-carboxylate
CID 79646454
1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide
CID 79654317
3-[(3-bromo-2-pyridinyl)sulfanyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79656899
methyl 3-(2-methoxyphenyl)sulfanyl-1-(methylamino)cyclohexane-1-carboxylate
CID 79635299
methyl 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylate
CID 79634028
methyl 1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate
CID 79635854
methyl 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate
CID 79654258

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate (CID 79654095) is methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(Sc2ncccn2)C1.
What is the InChIKey of methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate?
The InChIKey is UGBFMOARERTNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-13-12(10(16)17-2)5-4-9(8-12)18-11-14-6-3-7-15-11/h3,6-7,9,13H,4-5,8H2,1-2H3.
What are the key properties of methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate?
methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate is sourced from PubChem (CID 79654095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).