2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C13H13ClN4S2 — CID 103321245

IUPAC2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)Cc3cscn3)nc(Cl)nc2s1
InChIInChI=1S/C13H13ClN4S2/c1-3-9-4-10-11(16-13(14)17-12(10)20-9)18(2)5-8-6-19-7-15-8/h4,6-7H,3,5H2,1-2H3
InChIKeyIJUVEULVWWESIE-UHFFFAOYSA-N
MW324.86 g/mol
LogP4.00
Rot. Bonds4

About 2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321245) has the molecular formula C13H13ClN4S2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321245
Molecular FormulaC13H13ClN4S2
Molecular Weight324.86 g/mol
Exact Mass324.03
IUPAC Name2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)Cc3cscn3)nc(Cl)nc2s1
InChIInChI=1S/C13H13ClN4S2/c1-3-9-4-10-11(16-13(14)17-12(10)20-9)18(2)5-8-6-19-7-15-8/h4,6-7H,3,5H2,1-2H3
InChIKeyIJUVEULVWWESIE-UHFFFAOYSA-N
XLogP4.00
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103321245) is 2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(C)Cc3cscn3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IJUVEULVWWESIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S2/c1-3-9-4-10-11(16-13(14)17-12(10)20-9)18(2)5-8-6-19-7-15-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 324.86 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).