lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate

C7H2ClLiN2O2S — CID 59424471

IUPAClithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate
SMILESO=C([O-])c1cc2ncnc(Cl)c2s1.[Li+]
InChIInChI=1S/C7H3ClN2O2S.Li/c8-6-5-3(9-2-10-6)1-4(13-5)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1
InChIKeyUYPMIDWZPQFLKE-UHFFFAOYSA-M
MW220.57 g/mol
LogP-2.29
Rot. Bonds1

About lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate

lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate (PubChem CID 59424471) has the molecular formula C7H2ClLiN2O2S and a molecular weight of 220.57 g/mol. Its IUPAC name is lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namelithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate
PubChem CID59424471
Molecular FormulaC7H2ClLiN2O2S
Molecular Weight220.57 g/mol
Exact Mass219.97
IUPAC Namelithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate
SMILESO=C([O-])c1cc2ncnc(Cl)c2s1.[Li+]
InChIInChI=1S/C7H3ClN2O2S.Li/c8-6-5-3(9-2-10-6)1-4(13-5)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1
InChIKeyUYPMIDWZPQFLKE-UHFFFAOYSA-M
XLogP-2.29
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.57
LogP ≤ 5-2.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chlorothieno[3,2-d]pyrimidine-6-carboxamide
CID 71654770
4-Chlorothieno[3,2-d]pyrimidine-6-carboxylic acid
CID 22603621
Thieno[3,2-d]pyrimidine-4-carboxylic acid
CID 57415848
4-Chlorothieno[3,2-d]pyrimidine-6-carbaldehyde
CID 59424423
Thieno[3,2-d]pyrimidine-6-carboxylic acid
CID 82409187
2,4-Dichlorothieno(3,2-d)pyrimidine-6-carboxylic acid
CID 131531025
1-(4-Chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone
CID 129286021
2-(Trifluoromethylsulfonyloxy)thieno[3,2-d]pyrimidine-6-carboxylate
CID 153930210
2-(Trifluoromethylsulfonyloxy)thieno[3,2-d]pyrimidine-6-carboxylic acid
CID 153930211
Ethyl 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate
CID 20746070
{4-Chlorothieno[3,2-d]pyrimidin-6-yl}methanol
CID 57886465
4-Chlorothieno[3,2-d]pyrimidine-6-carbonyl chloride
CID 59424546

Frequently Asked Questions

What is the IUPAC name of lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate?
The IUPAC name of lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate (CID 59424471) is lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate.
What is the SMILES notation for lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate?
The canonical SMILES for lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate is O=C([O-])c1cc2ncnc(Cl)c2s1.[Li+].
What is the InChIKey of lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate?
The InChIKey is UYPMIDWZPQFLKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H3ClN2O2S.Li/c8-6-5-3(9-2-10-6)1-4(13-5)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1.
What are the key properties of lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate?
lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate has a molecular weight of 220.57 g/mol, XLogP of -2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-chlorothieno[3,2-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 59424471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).