2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H18Cl2N6O2S — CID 24966965

IUPAC2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2cc(C(=O)NC3CC3)sc2n1
InChIInChI=1S/C21H18Cl2N6O2S/c22-11-8-14(23)17(15(9-11)31-7-6-29-5-1-4-25-29)18-13-10-16(19(30)26-12-2-3-12)32-20(13)28-21(24)27-18/h1,4-5,8-10,12H,2-3,6-7H2,(H,26,30)(H2,24,27,28)
InChIKeyHFDFRLWECCOQDF-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.41
Rot. Bonds7

About 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24966965) has the molecular formula C21H18Cl2N6O2S and a molecular weight of 489.39 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24966965
Molecular FormulaC21H18Cl2N6O2S
Molecular Weight489.39 g/mol
Exact Mass488.06
IUPAC Name2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2cc(C(=O)NC3CC3)sc2n1
InChIInChI=1S/C21H18Cl2N6O2S/c22-11-8-14(23)17(15(9-11)31-7-6-29-5-1-4-25-29)18-13-10-16(19(30)26-12-2-3-12)32-20(13)28-21(24)27-18/h1,4-5,8-10,12H,2-3,6-7H2,(H,26,30)(H2,24,27,28)
InChIKeyHFDFRLWECCOQDF-UHFFFAOYSA-N
XLogP4.41
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 24966965) is 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is Nc1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2cc(C(=O)NC3CC3)sc2n1.
What is the InChIKey of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HFDFRLWECCOQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N6O2S/c22-11-8-14(23)17(15(9-11)31-7-6-29-5-1-4-25-29)18-13-10-16(19(30)26-12-2-3-12)32-20(13)28-21(24)27-18/h1,4-5,8-10,12H,2-3,6-7H2,(H,26,30)(H2,24,27,28).
What are the key properties of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 489.39 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24966965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).