methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate

C14H17N3O2S2 — CID 107778818

IUPACmethyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate
SMILESCNc1nc(SCC2(CC(=O)OC)CC2)c2ccsc2n1
InChIInChI=1S/C14H17N3O2S2/c1-15-13-16-11-9(3-6-20-11)12(17-13)21-8-14(4-5-14)7-10(18)19-2/h3,6H,4-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyDPHATFMCVFDCCS-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.17
Rot. Bonds6

About methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate (PubChem CID 107778818) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate
PubChem CID107778818
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Namemethyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate
SMILESCNc1nc(SCC2(CC(=O)OC)CC2)c2ccsc2n1
InChIInChI=1S/C14H17N3O2S2/c1-15-13-16-11-9(3-6-20-11)12(17-13)21-8-14(4-5-14)7-10(18)19-2/h3,6H,4-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyDPHATFMCVFDCCS-UHFFFAOYSA-N
XLogP3.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate with MolForge

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Related Compounds

methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate
CID 107776910
N-methyl-4-propylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334188
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103324325
methyl 2-[1-[(3-amino-6-carbamoyl-2-pyridinyl)sulfanylmethyl]cyclopropyl]acetate
CID 107778059
methyl 2-[1-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107778323
methyl 2-[1-[(4-methylpyrimidin-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777017
methyl 2-[1-[(4-chlorophthalazin-1-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777562
methyl 2-[1-[(3,5-difluoro-2-pyridinyl)sulfanylmethyl]cyclopropyl]acetate
CID 114000327
N-methyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334551
methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777068
methyl 2-[1-[[4-(hydroxymethyl)phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 114000490
methyl 2-[1-[(5-bromo-6-chloropyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
CID 114071822

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate (CID 107778818) is methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate is CNc1nc(SCC2(CC(=O)OC)CC2)c2ccsc2n1.
What is the InChIKey of methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate?
The InChIKey is DPHATFMCVFDCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-15-13-16-11-9(3-6-20-11)12(17-13)21-8-14(4-5-14)7-10(18)19-2/h3,6H,4-5,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate has a molecular weight of 323.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107778818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).