4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine

C14H13ClN4 — CID 43381639

IUPAC4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(Cl)nc(C)nc32)c(C)c1
InChIInChI=1S/C14H13ClN4/c1-8-4-5-12(9(2)6-8)19-14-11(7-16-19)13(15)17-10(3)18-14/h4-7H,1-3H3
InChIKeyGWYRIMCQEPYDAN-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.39
Rot. Bonds1

About 4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine

4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 43381639) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
PubChem CID43381639
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(Cl)nc(C)nc32)c(C)c1
InChIInChI=1S/C14H13ClN4/c1-8-4-5-12(9(2)6-8)19-14-11(7-16-19)13(15)17-10(3)18-14/h4-7H,1-3H3
InChIKeyGWYRIMCQEPYDAN-UHFFFAOYSA-N
XLogP3.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
CID 170093134
1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 42679682
4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4282266
10-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 3897055
2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole
CID 82880870
1-(2,4-dimethylphenyl)-5-methylpyrazol-4-amine
CID 60865980
1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 940192
N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726494
4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3850696
1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8540480
1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 45484981

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine (CID 43381639) is 4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine is Cc1ccc(-n2ncc3c(Cl)nc(C)nc32)c(C)c1.
What is the InChIKey of 4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is GWYRIMCQEPYDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-8-4-5-12(9(2)6-8)19-14-11(7-16-19)13(15)17-10(3)18-14/h4-7H,1-3H3.
What are the key properties of 4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine?
4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 272.74 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 43381639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).