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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Related Compounds

3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 81038178
5-bromo-2-chloro-N-(4-ethylphenyl)-N-methylpyrimidin-4-amine
CID 79072990
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321956
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile
CID 103327486
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 103322064
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
CID 103322493
2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103320555
2-chloro-6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321377
2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320724
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
2-chloro-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320636
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322269

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).