3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C12H18N6O — CID 106138335

IUPAC3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1nc(NCC2CCCC(O)C2)c2cn[nH]c2n1
InChIInChI=1S/C12H18N6O/c13-12-16-10(9-6-15-18-11(9)17-12)14-5-7-2-1-3-8(19)4-7/h6-8,19H,1-5H2,(H4,13,14,15,16,17,18)
InChIKeyHOZNNHOQGSKFGK-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.90
Rot. Bonds3

About 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106138335) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106138335
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1nc(NCC2CCCC(O)C2)c2cn[nH]c2n1
InChIInChI=1S/C12H18N6O/c13-12-16-10(9-6-15-18-11(9)17-12)14-5-7-2-1-3-8(19)4-7/h6-8,19H,1-5H2,(H4,13,14,15,16,17,18)
InChIKeyHOZNNHOQGSKFGK-UHFFFAOYSA-N
XLogP0.90
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138786
3-[[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138769
3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138799
3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol
CID 106119943
3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138447
5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine
CID 80783168
3-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138483
5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 80784182
4-N-(2-propylcyclopropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 114112598
3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 114148147
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117480

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106138335) is 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Nc1nc(NCC2CCCC(O)C2)c2cn[nH]c2n1.
What is the InChIKey of 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HOZNNHOQGSKFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c13-12-16-10(9-6-15-18-11(9)17-12)14-5-7-2-1-3-8(19)4-7/h6-8,19H,1-5H2,(H4,13,14,15,16,17,18).
What are the key properties of 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 262.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).