1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine

C19H15Cl2N5 — CID 35715079

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1nc(-c2ccccc2)nc2c1c(N)nn2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N5/c1-11-16-17(22)25-26(10-13-7-8-14(20)9-15(13)21)19(16)24-18(23-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,22,25)
InChIKeyBCUAVIIIXCFGKP-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.74
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine

1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 35715079) has the molecular formula C19H15Cl2N5 and a molecular weight of 384.27 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID35715079
Molecular FormulaC19H15Cl2N5
Molecular Weight384.27 g/mol
Exact Mass383.07
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1nc(-c2ccccc2)nc2c1c(N)nn2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N5/c1-11-16-17(22)25-26(10-13-7-8-14(20)9-15(13)21)19(16)24-18(23-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,22,25)
InChIKeyBCUAVIIIXCFGKP-UHFFFAOYSA-N
XLogP4.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 9909468
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
PD-171729
CID 9800614
7-(4-Chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 824033
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine (CID 35715079) is 1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine is Cc1nc(-c2ccccc2)nc2c1c(N)nn2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is BCUAVIIIXCFGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5/c1-11-16-17(22)25-26(10-13-7-8-14(20)9-15(13)21)19(16)24-18(23-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,22,25).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 384.27 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 35715079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).