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

C14H12ClN3OS — CID 103331812

IUPAC4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Oc2ccc(Cl)cc2)c2cc(C)sc2n1
InChIInChI=1S/C14H12ClN3OS/c1-8-7-11-12(17-14(16-2)18-13(11)20-8)19-10-5-3-9(15)4-6-10/h3-7H,1-2H3,(H,16,17,18)
InChIKeyPXTHXCLJLRDXFU-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.49
Rot. Bonds3

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

4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331812) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331812
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Oc2ccc(Cl)cc2)c2cc(C)sc2n1
InChIInChI=1S/C14H12ClN3OS/c1-8-7-11-12(17-14(16-2)18-13(11)20-8)19-10-5-3-9(15)4-6-10/h3-7H,1-2H3,(H,16,17,18)
InChIKeyPXTHXCLJLRDXFU-UHFFFAOYSA-N
XLogP4.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 103331812) is 4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Oc2ccc(Cl)cc2)c2cc(C)sc2n1.
What is the InChIKey of 4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is PXTHXCLJLRDXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-8-7-11-12(17-14(16-2)18-13(11)20-8)19-10-5-3-9(15)4-6-10/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 305.79 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).