2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine

C14H11ClN2O3S — CID 103319866

IUPAC2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCOc1cccc(OC)c1Oc1nc(Cl)nc2sccc12
InChIInChI=1S/C14H11ClN2O3S/c1-18-9-4-3-5-10(19-2)11(9)20-12-8-6-7-21-13(8)17-14(15)16-12/h3-7H,1-2H3
InChIKeyJYDSLMPIRSPAQJ-UHFFFAOYSA-N
MW322.77 g/mol
LogP4.15
Rot. Bonds4

About 2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine

2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 103319866) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
PubChem CID103319866
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCOc1cccc(OC)c1Oc1nc(Cl)nc2sccc12
InChIInChI=1S/C14H11ClN2O3S/c1-18-9-4-3-5-10(19-2)11(9)20-12-8-6-7-21-13(8)17-14(15)16-12/h3-7H,1-2H3
InChIKeyJYDSLMPIRSPAQJ-UHFFFAOYSA-N
XLogP4.15
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103320173
2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 103319903
2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 103320002
4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 103319776
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 107098065
4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333492
2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine
CID 103319718
3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395853
2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
CID 103320209
2-(2,6-dimethoxyphenoxy)-1,3-thiazole
CID 141204146
4-chloro-6-(2,6-dimethoxyphenoxy)-2,5-dimethylpyrimidine
CID 63736403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine (CID 103319866) is 2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine is COc1cccc(OC)c1Oc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is JYDSLMPIRSPAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c1-18-9-4-3-5-10(19-2)11(9)20-12-8-6-7-21-13(8)17-14(15)16-12/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine?
2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 322.77 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).