2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine

C15H14ClN3O3S — CID 86673224

IUPAC2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine
SMILESCOc1cc(Nc2csc3cnc(Cl)nc23)cc(OC)c1OC
InChIInChI=1S/C15H14ClN3O3S/c1-20-10-4-8(5-11(21-2)14(10)22-3)18-9-7-23-12-6-17-15(16)19-13(9)12/h4-7,18H,1-3H3
InChIKeyFTSHYVQXSWLNBJ-UHFFFAOYSA-N
MW351.82 g/mol
LogP4.11
Rot. Bonds5

About 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine

2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine (PubChem CID 86673224) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine
PubChem CID86673224
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC Name2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine
SMILESCOc1cc(Nc2csc3cnc(Cl)nc23)cc(OC)c1OC
InChIInChI=1S/C15H14ClN3O3S/c1-20-10-4-8(5-11(21-2)14(10)22-3)18-9-7-23-12-6-17-15(16)19-13(9)12/h4-7,18H,1-3H3
InChIKeyFTSHYVQXSWLNBJ-UHFFFAOYSA-N
XLogP4.11
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine?
The IUPAC name of 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine (CID 86673224) is 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine.
What is the SMILES notation for 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine?
The canonical SMILES for 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine is COc1cc(Nc2csc3cnc(Cl)nc23)cc(OC)c1OC.
What is the InChIKey of 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine?
The InChIKey is FTSHYVQXSWLNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-20-10-4-8(5-11(21-2)14(10)22-3)18-9-7-23-12-6-17-15(16)19-13(9)12/h4-7,18H,1-3H3.
What are the key properties of 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine?
2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine has a molecular weight of 351.82 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine is sourced from PubChem (CID 86673224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).