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

C18H16ClN5OS — CID 143672996

IUPAC4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc(Cl)c(-c2nc(N)nc3sccc23)c(OCCn2cccn2)c1
InChIInChI=1S/C18H16ClN5OS/c1-11-9-13(19)15(14(10-11)25-7-6-24-5-2-4-21-24)16-12-3-8-26-17(12)23-18(20)22-16/h2-5,8-10H,6-7H2,1H3,(H2,20,22,23)
InChIKeyPKKINBSRWDMDTK-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.18
Rot. Bonds5

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

4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 143672996) has the molecular formula C18H16ClN5OS and a molecular weight of 385.88 g/mol. Its IUPAC name is 4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID143672996
Molecular FormulaC18H16ClN5OS
Molecular Weight385.88 g/mol
Exact Mass385.08
IUPAC Name4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc(Cl)c(-c2nc(N)nc3sccc23)c(OCCn2cccn2)c1
InChIInChI=1S/C18H16ClN5OS/c1-11-9-13(19)15(14(10-11)25-7-6-24-5-2-4-21-24)16-12-3-8-26-17(12)23-18(20)22-16/h2-5,8-10H,6-7H2,1H3,(H2,20,22,23)
InChIKeyPKKINBSRWDMDTK-UHFFFAOYSA-N
XLogP4.18
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2,2-difluoroethylamino)methanol
CID 143672980
2-[(4-Chloro-2-isopropyl-5-methylphenoxy)methyl]-8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 2266606
2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 24966967
4-[2,4-Dichloro-6-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine
CID 24967698
4-[2,4-Dichloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]thieno[2,3-d]pyrimidin-2-amine
CID 24967699
4-[2,4-Dichloro-6-(2-pyrazol-1-ylpropoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
CID 24968056
Ethyl 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 24968058
7-[2,4-Dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CID 69167080
7-[2,4-Dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 69167430
7-[2,4-Dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CID 71098546
4-[2,4-Dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
CID 71098547
7-[2,4-Dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 71098747

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine (CID 143672996) is 4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine is Cc1cc(Cl)c(-c2nc(N)nc3sccc23)c(OCCn2cccn2)c1.
What is the InChIKey of 4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is PKKINBSRWDMDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5OS/c1-11-9-13(19)15(14(10-11)25-7-6-24-5-2-4-21-24)16-12-3-8-26-17(12)23-18(20)22-16/h2-5,8-10H,6-7H2,1H3,(H2,20,22,23).
What are the key properties of 4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine?
4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 385.88 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 143672996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).