N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H21N5 — CID 866420

IUPACN-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3c(NC4CCCCC4)ncnc32)c1
InChIInChI=1S/C18H21N5/c1-13-6-5-9-15(10-13)23-18-16(11-21-23)17(19-12-20-18)22-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,20,22)
InChIKeyLVCYPOWUAJICJV-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.87
Rot. Bonds3

About N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 866420) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID866420
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3c(NC4CCCCC4)ncnc32)c1
InChIInChI=1S/C18H21N5/c1-13-6-5-9-15(10-13)23-18-16(11-21-23)17(19-12-20-18)22-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,20,22)
InChIKeyLVCYPOWUAJICJV-UHFFFAOYSA-N
XLogP3.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 866420) is N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(-n2ncc3c(NC4CCCCC4)ncnc32)c1.
What is the InChIKey of N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LVCYPOWUAJICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-6-5-9-15(10-13)23-18-16(11-21-23)17(19-12-20-18)22-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,20,22).
What are the key properties of N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 866420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).