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

C12H15ClN4 — CID 172599841

IUPAC6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine
SMILESClc1ncc2cnn(CC3CCCCC3)c2n1
InChIInChI=1S/C12H15ClN4/c13-12-14-6-10-7-15-17(11(10)16-12)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyKSVOSRDUYKUVJG-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.06
Rot. Bonds2

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

6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 172599841) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID172599841
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine
SMILESClc1ncc2cnn(CC3CCCCC3)c2n1
InChIInChI=1S/C12H15ClN4/c13-12-14-6-10-7-15-17(11(10)16-12)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyKSVOSRDUYKUVJG-UHFFFAOYSA-N
XLogP3.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-[(4-methylcyclohexyl)methyl]pyrazolo[3,4-d]pyrimidine
CID 58056409
1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine
CID 172599943
[(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol
CID 165171963
tert-butyl-[4-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclohexyl]carbamic acid
CID 87094208
6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine
CID 165171615
1-[(2S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 165171628
3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]piperidin-2-one
CID 165171617
6-chloro-1-ethylpyrazolo[3,4-d]pyrimidine
CID 58056412
1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 172599757
1-[(2S,5S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methylpyrrolidin-1-yl]ethanone
CID 165171954
1-(cyclohexylmethyl)pyrazolo[4,3-c]pyridin-6-amine
CID 166460327
6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine
CID 134607575

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine (CID 172599841) is 6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine is Clc1ncc2cnn(CC3CCCCC3)c2n1.
What is the InChIKey of 6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is KSVOSRDUYKUVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c13-12-14-6-10-7-15-17(11(10)16-12)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine?
6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 250.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 172599841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).