2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C15H14ClN3S — CID 103321385

IUPAC2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(N(C)c2nc(Cl)nc3sccc23)cc1
InChIInChI=1S/C15H14ClN3S/c1-3-10-4-6-11(7-5-10)19(2)13-12-8-9-20-14(12)18-15(16)17-13/h4-9H,3H2,1-2H3
InChIKeyYTHBKNSWHWPULT-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.68
Rot. Bonds3

About 2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321385) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103321385
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(N(C)c2nc(Cl)nc3sccc23)cc1
InChIInChI=1S/C15H14ClN3S/c1-3-10-4-6-11(7-5-10)19(2)13-12-8-9-20-14(12)18-15(16)17-13/h4-9H,3H2,1-2H3
InChIKeyYTHBKNSWHWPULT-UHFFFAOYSA-N
XLogP4.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 103321385) is 2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1ccc(N(C)c2nc(Cl)nc3sccc23)cc1.
What is the InChIKey of 2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YTHBKNSWHWPULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-3-10-4-6-11(7-5-10)19(2)13-12-8-9-20-14(12)18-15(16)17-13/h4-9H,3H2,1-2H3.
What are the key properties of 2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.82 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).