1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

C12H20N4O — CID 80842529

IUPAC1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2cc(N)ncn2)CC1
InChIInChI=1S/C12H20N4O/c1-9-2-4-12(17,5-3-9)7-14-11-6-10(13)15-8-16-11/h6,8-9,17H,2-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyXJSUEHYAIRGKCK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.41
Rot. Bonds3

About 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 80842529) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID80842529
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2cc(N)ncn2)CC1
InChIInChI=1S/C12H20N4O/c1-9-2-4-12(17,5-3-9)7-14-11-6-10(13)15-8-16-11/h6,8-9,17H,2-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyXJSUEHYAIRGKCK-UHFFFAOYSA-N
XLogP1.41
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

4-methyl-1-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842436
1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915307
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915305
1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115492
4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118314
[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359835
1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
CID 106890503
1-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80908970
4-ethyl-1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327648
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118460
4-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842253

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 80842529) is 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNc2cc(N)ncn2)CC1.
What is the InChIKey of 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is XJSUEHYAIRGKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-2-4-12(17,5-3-9)7-14-11-6-10(13)15-8-16-11/h6,8-9,17H,2-5,7H2,1H3,(H3,13,14,15,16).
What are the key properties of 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 80842529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).