4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol

C15H19N7O — CID 166928384

IUPAC4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol
SMILESCc1cc(-c2nc(NC3CCC(O)CC3)c3[nH]cnc3n2)n[nH]1
InChIInChI=1S/C15H19N7O/c1-8-6-11(22-21-8)13-19-14-12(16-7-17-14)15(20-13)18-9-2-4-10(23)5-3-9/h6-7,9-10,23H,2-5H2,1H3,(H,21,22)(H2,16,17,18,19,20)
InChIKeyNLHJGMDJIROIMN-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.77
Rot. Bonds3

About 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol

4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol (PubChem CID 166928384) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol
PubChem CID166928384
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol
SMILESCc1cc(-c2nc(NC3CCC(O)CC3)c3[nH]cnc3n2)n[nH]1
InChIInChI=1S/C15H19N7O/c1-8-6-11(22-21-8)13-19-14-12(16-7-17-14)15(20-13)18-9-2-4-10(23)5-3-9/h6-7,9-10,23H,2-5H2,1H3,(H,21,22)(H2,16,17,18,19,20)
InChIKeyNLHJGMDJIROIMN-UHFFFAOYSA-N
XLogP1.77
TPSA115.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606
6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784239
4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol
CID 117078910
6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
CID 25121463
6-N-cyclopropyl-2-N-(4-methylquinolin-6-yl)-7H-purine-2,6-diamine;methanesulfonic acid;dihydrate
CID 162313596
3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
CID 114785530
2-chloro-N-(3,4-dimethylcyclohexyl)-7H-purin-6-amine
CID 113442687

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol (CID 166928384) is 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol is Cc1cc(-c2nc(NC3CCC(O)CC3)c3[nH]cnc3n2)n[nH]1.
What is the InChIKey of 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is NLHJGMDJIROIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-8-6-11(22-21-8)13-19-14-12(16-7-17-14)15(20-13)18-9-2-4-10(23)5-3-9/h6-7,9-10,23H,2-5H2,1H3,(H,21,22)(H2,16,17,18,19,20).
What are the key properties of 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol?
4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 313.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 166928384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).