methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate

C12H12ClN3O3S — CID 162374452

IUPACmethyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C12H12ClN3O3S/c1-18-11(17)8-6-7-9(20-8)10(15-12(13)14-7)16-2-4-19-5-3-16/h6H,2-5H2,1H3
InChIKeyQKYWEHYSMCCHGR-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.97
Rot. Bonds2

About methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate

methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate (PubChem CID 162374452) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate
PubChem CID162374452
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Namemethyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C12H12ClN3O3S/c1-18-11(17)8-6-7-9(20-8)10(15-12(13)14-7)16-2-4-19-5-3-16/h6H,2-5H2,1H3
InChIKeyQKYWEHYSMCCHGR-UHFFFAOYSA-N
XLogP1.97
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate (CID 162374452) is methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate is COC(=O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.
What is the InChIKey of methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate?
The InChIKey is QKYWEHYSMCCHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-18-11(17)8-6-7-9(20-8)10(15-12(13)14-7)16-2-4-19-5-3-16/h6H,2-5H2,1H3.
What are the key properties of methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate?
methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate has a molecular weight of 313.77 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 162374452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).