methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C12H12ClN3O2S — CID 82309438

IUPACmethyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(NC3CC3)nc(Cl)c2c1C
InChIInChI=1S/C12H12ClN3O2S/c1-5-7-9(13)15-12(14-6-3-4-6)16-10(7)19-8(5)11(17)18-2/h6H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyVLNIGZPQGKPAFP-UHFFFAOYSA-N
MW297.77 g/mol
LogP3.01
Rot. Bonds3

About methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 82309438) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID82309438
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Namemethyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(NC3CC3)nc(Cl)c2c1C
InChIInChI=1S/C12H12ClN3O2S/c1-5-7-9(13)15-12(14-6-3-4-6)16-10(7)19-8(5)11(17)18-2/h6H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyVLNIGZPQGKPAFP-UHFFFAOYSA-N
XLogP3.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 95507192
methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 82309228
methyl 4-(cyclooctylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 8002219
methyl 4-(cycloheptylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 8004574
methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
CID 47257578
ethyl 4-(cyclopentylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4963424
methyl 4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133342294
5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24739451
5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479860
3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 53382542
1-(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058931
methyl 4-chloro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]amino]-1,3-thiazole-5-carboxylate
CID 86814445

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 82309438) is methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(NC3CC3)nc(Cl)c2c1C.
What is the InChIKey of methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is VLNIGZPQGKPAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-5-7-9(13)15-12(14-6-3-4-6)16-10(7)19-8(5)11(17)18-2/h6H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 297.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 82309438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).