4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine

C17H13Cl2N5OS — CID 71098547

IUPAC4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2ccsc2n1
InChIInChI=1S/C17H13Cl2N5OS/c18-10-8-12(19)14(13(9-10)25-6-5-24-4-1-3-21-24)15-11-2-7-26-16(11)23-17(20)22-15/h1-4,7-9H,5-6H2,(H2,20,22,23)
InChIKeyBIXAONHVHYAOSZ-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.52
Rot. Bonds5

About 4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine

4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 71098547) has the molecular formula C17H13Cl2N5OS and a molecular weight of 406.30 g/mol. Its IUPAC name is 4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID71098547
Molecular FormulaC17H13Cl2N5OS
Molecular Weight406.30 g/mol
Exact Mass405.02
IUPAC Name4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2ccsc2n1
InChIInChI=1S/C17H13Cl2N5OS/c18-10-8-12(19)14(13(9-10)25-6-5-24-4-1-3-21-24)15-11-2-7-26-16(11)23-17(20)22-15/h1-4,7-9H,5-6H2,(H2,20,22,23)
InChIKeyBIXAONHVHYAOSZ-UHFFFAOYSA-N
XLogP4.52
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine (CID 71098547) is 4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine is Nc1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2ccsc2n1.
What is the InChIKey of 4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BIXAONHVHYAOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5OS/c18-10-8-12(19)14(13(9-10)25-6-5-24-4-1-3-21-24)15-11-2-7-26-16(11)23-17(20)22-15/h1-4,7-9H,5-6H2,(H2,20,22,23).
What are the key properties of 4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine?
4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 406.30 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 71098547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).