1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

C15H16BrN5 — CID 104508918

IUPAC1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2c1cnn2-c1ccc(Br)cc1C
InChIInChI=1S/C15H16BrN5/c1-3-6-17-14-12-8-20-21(15(12)19-9-18-14)13-5-4-11(16)7-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyXVMBMDKEVNBTGC-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.71
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 104508918) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID104508918
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2c1cnn2-c1ccc(Br)cc1C
InChIInChI=1S/C15H16BrN5/c1-3-6-17-14-12-8-20-21(15(12)19-9-18-14)13-5-4-11(16)7-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyXVMBMDKEVNBTGC-UHFFFAOYSA-N
XLogP3.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-2-methylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 104508914
1-(3-bromophenyl)-N-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432149
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 30877188
N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3850696
N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 39864101
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 940192
N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4055936
4-N-(4-bromo-2-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80759265
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
1-[(2-bromophenyl)methyl]-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63276754

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 104508918) is 1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1ncnc2c1cnn2-c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XVMBMDKEVNBTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-3-6-17-14-12-8-20-21(15(12)19-9-18-14)13-5-4-11(16)7-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 346.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 104508918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).