4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine

C15H14ClN3OS — CID 103331886

IUPAC4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cccc(Cl)c2)c2cc(C)sc2n1
InChIInChI=1S/C15H14ClN3OS/c1-3-17-15-18-13(12-7-9(2)21-14(12)19-15)20-11-6-4-5-10(16)8-11/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyOBDYQZUHQMYNEM-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.88
Rot. Bonds4

About 4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine

4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331886) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331886
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cccc(Cl)c2)c2cc(C)sc2n1
InChIInChI=1S/C15H14ClN3OS/c1-3-17-15-18-13(12-7-9(2)21-14(12)19-15)20-11-6-4-5-10(16)8-11/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyOBDYQZUHQMYNEM-UHFFFAOYSA-N
XLogP4.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331498
4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332822
3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
CID 103331695
N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331371
N-ethyl-6-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332290
3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336136
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
[4-(4-chloro-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336203
4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine
CID 80870580
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320114

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103331886) is 4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Oc2cccc(Cl)c2)c2cc(C)sc2n1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is OBDYQZUHQMYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-3-17-15-18-13(12-7-9(2)21-14(12)19-15)20-11-6-4-5-10(16)8-11/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 319.82 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).