3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5 — CID 57350722

IUPAC3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nn(-c2ccc(C)cc2)c2nc(C)nc(N)c12
InChIInChI=1S/C15H17N5/c1-4-12-13-14(16)17-10(3)18-15(13)20(19-12)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H2,16,17,18)
InChIKeyLAGCOTAZWPPWBV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.58
Rot. Bonds2

About 3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 57350722) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID57350722
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nn(-c2ccc(C)cc2)c2nc(C)nc(N)c12
InChIInChI=1S/C15H17N5/c1-4-12-13-14(16)17-10(3)18-15(13)20(19-12)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H2,16,17,18)
InChIKeyLAGCOTAZWPPWBV-UHFFFAOYSA-N
XLogP2.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625
[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 117124151
6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 110171361
1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 21455595
[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82469703
6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 42670632
N-[4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-(dimethylamino)but-2-enamide
CID 123881022
7-(4-bromophenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43336972
4-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)benzonitrile
CID 66021994
4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42670620
7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43159203
N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 42671783

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 57350722) is 3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCc1nn(-c2ccc(C)cc2)c2nc(C)nc(N)c12.
What is the InChIKey of 3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LAGCOTAZWPPWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-12-13-14(16)17-10(3)18-15(13)20(19-12)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of 3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57350722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).