4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine

C15H15ClN6 — CID 42667809

IUPAC4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCn1nc2nc(NC3CC3)nc(-c3ccccc3Cl)c2c1N
InChIInChI=1S/C15H15ClN6/c1-22-13(17)11-12(9-4-2-3-5-10(9)16)19-15(18-8-6-7-8)20-14(11)21-22/h2-5,8H,6-7,17H2,1H3,(H,18,20,21)
InChIKeyHYSNELWYDLQJIG-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.84
Rot. Bonds3

About 4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine

4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42667809) has the molecular formula C15H15ClN6 and a molecular weight of 314.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42667809
Molecular FormulaC15H15ClN6
Molecular Weight314.78 g/mol
Exact Mass314.10
IUPAC Name4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCn1nc2nc(NC3CC3)nc(-c3ccccc3Cl)c2c1N
InChIInChI=1S/C15H15ClN6/c1-22-13(17)11-12(9-4-2-3-5-10(9)16)19-15(18-8-6-7-8)20-14(11)21-22/h2-5,8H,6-7,17H2,1H3,(H,18,20,21)
InChIKeyHYSNELWYDLQJIG-UHFFFAOYSA-N
XLogP2.84
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chloro-4-fluorophenyl)-6-N-cyclopentyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669507
4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667827
4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667796
4-(2-chlorophenyl)-2-methyl-6-N-(2-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807916
4-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667822
4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 86617255
6-N-(cyclopropylmethyl)-4-(2-fluorophenyl)-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808241
ethyl 4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate
CID 42667808
2-benzyl-6-N-cyclopentyl-4-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668439
4-(2-chlorophenyl)-6-N-(cyclopropylmethyl)-2-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667787
2-benzyl-4-(4-chlorophenyl)-6-N-cyclopentylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668036
4-(4-chlorophenyl)-6-N-cyclopropyl-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808018

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42667809) is 4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine is Cn1nc2nc(NC3CC3)nc(-c3ccccc3Cl)c2c1N.
What is the InChIKey of 4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is HYSNELWYDLQJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6/c1-22-13(17)11-12(9-4-2-3-5-10(9)16)19-15(18-8-6-7-8)20-14(11)21-22/h2-5,8H,6-7,17H2,1H3,(H,18,20,21).
What are the key properties of 4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 314.78 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42667809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).