1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine

C13H18N4 — CID 172599943

IUPAC1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine
SMILESCc1ncc2cnn(CC3CCCCC3)c2n1
InChIInChI=1S/C13H18N4/c1-10-14-7-12-8-15-17(13(12)16-10)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyFBMHBCSYCIDMHT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.72
Rot. Bonds2

About 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine

1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine (PubChem CID 172599943) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine
PubChem CID172599943
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine
SMILESCc1ncc2cnn(CC3CCCCC3)c2n1
InChIInChI=1S/C13H18N4/c1-10-14-7-12-8-15-17(13(12)16-10)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyFBMHBCSYCIDMHT-UHFFFAOYSA-N
XLogP2.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine
CID 172599841
1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 172599757
6-chloro-1-[(4-methylcyclohexyl)methyl]pyrazolo[3,4-d]pyrimidine
CID 58056409
1-(cyclohexylmethyl)pyrazolo[4,3-c]pyridin-6-amine
CID 166460327
2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one
CID 59177878
1-(cyclohexylmethyl)-N-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 172599856
1-(cyclohexylmethyl)-5-methyltriazole
CID 139378897
1-(cyclobutylmethyl)-4-iodo-5-methylpyrazole
CID 175686716
1-(cyclohexylmethyl)-N-[4-ethenylsulfonyl-3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 172599910
tert-butyl-[4-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclohexyl]carbamic acid
CID 87094208
1-[(2S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 165171628
1-[[4-(chloromethyl)cyclohexyl]methyl]-N-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 172599903

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine (CID 172599943) is 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine is Cc1ncc2cnn(CC3CCCCC3)c2n1.
What is the InChIKey of 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine?
The InChIKey is FBMHBCSYCIDMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-14-7-12-8-15-17(13(12)16-10)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine?
1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine has a molecular weight of 230.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 172599943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).