5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine

C19H17Cl2N5OS — CID 155176709

IUPAC5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(OCCNc2ncnc3scc(Cl)c23)nn(C)c1-c1ccccc1Cl
InChIInChI=1S/C19H17Cl2N5OS/c1-11-16(12-5-3-4-6-13(12)20)26(2)25-18(11)27-8-7-22-17-15-14(21)9-28-19(15)24-10-23-17/h3-6,9-10H,7-8H2,1-2H3,(H,22,23,24)
InChIKeyFCABUKSFKNCUTJ-UHFFFAOYSA-N
MW434.35 g/mol
LogP5.20
Rot. Bonds6

About 5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine

5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155176709) has the molecular formula C19H17Cl2N5OS and a molecular weight of 434.35 g/mol. Its IUPAC name is 5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID155176709
Molecular FormulaC19H17Cl2N5OS
Molecular Weight434.35 g/mol
Exact Mass433.05
IUPAC Name5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(OCCNc2ncnc3scc(Cl)c23)nn(C)c1-c1ccccc1Cl
InChIInChI=1S/C19H17Cl2N5OS/c1-11-16(12-5-3-4-6-13(12)20)26(2)25-18(11)27-8-7-22-17-15-14(21)9-28-19(15)24-10-23-17/h3-6,9-10H,7-8H2,1-2H3,(H,22,23,24)
InChIKeyFCABUKSFKNCUTJ-UHFFFAOYSA-N
XLogP5.20
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.35
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Chlorophenoxy)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 1038122
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-pyrazol-1-ylpropoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
CID 24968056
5-chloro-N-[2-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 57677031
N-[2-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]ethyl]-5-chlorothieno[2,3-d]pyrimidin-4-amine
CID 57677064
5-chloro-N-[2-[4-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 57677101
5-chloro-N-[2-[4-(4-methylthiadiazol-5-yl)oxyphenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 57677102
5-chloro-N-[2-[4-(4-phenylthiadiazol-5-yl)oxyphenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 57677143
4-[2,4-Dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
CID 71098547
5-chloro-N-[1-[1-(4-chlorophenyl)pyrazol-3-yl]oxypropan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 134373208
4-[2-Chloro-4-methyl-6-(2-pyrazol-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidin-2-amine
CID 143672996
5-chloro-N-[2-[1,4-dimethyl-5-(4-nitrophenyl)pyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155176630

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine (CID 155176709) is 5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1c(OCCNc2ncnc3scc(Cl)c23)nn(C)c1-c1ccccc1Cl.
What is the InChIKey of 5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FCABUKSFKNCUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5OS/c1-11-16(12-5-3-4-6-13(12)20)26(2)25-18(11)27-8-7-22-17-15-14(21)9-28-19(15)24-10-23-17/h3-6,9-10H,7-8H2,1-2H3,(H,22,23,24).
What are the key properties of 5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine?
5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 434.35 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[5-(2-chlorophenyl)-1,4-dimethylpyrazol-3-yl]oxyethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155176709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).