[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

C12H20N4O — CID 113359835

IUPAC[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1cc(NCC2(CO)CCCCC2)ncn1
InChIInChI=1S/C12H20N4O/c13-10-6-11(16-9-15-10)14-7-12(8-17)4-2-1-3-5-12/h6,9,17H,1-5,7-8H2,(H3,13,14,15,16)
InChIKeyXXCWFYXFYZNMAR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.41
Rot. Bonds4

About [1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 113359835) 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]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID113359835
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1cc(NCC2(CO)CCCCC2)ncn1
InChIInChI=1S/C12H20N4O/c13-10-6-11(16-9-15-10)14-7-12(8-17)4-2-1-3-5-12/h6,9,17H,1-5,7-8H2,(H3,13,14,15,16)
InChIKeyXXCWFYXFYZNMAR-UHFFFAOYSA-N
XLogP1.41
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[[6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968726
[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115361870
[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 112697562
[1-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103967277
[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115360640
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115366395
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968751
[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968693
1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80842529
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979

Frequently Asked Questions

What is the IUPAC name of [1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 113359835) is [1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is Nc1cc(NCC2(CO)CCCCC2)ncn1.
What is the InChIKey of [1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is XXCWFYXFYZNMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-10-6-11(16-9-15-10)14-7-12(8-17)4-2-1-3-5-12/h6,9,17H,1-5,7-8H2,(H3,13,14,15,16).
What are the key properties of [1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 236.32 g/mol, XLogP of 1.41, 4 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]cyclohexyl]methanol is sourced from PubChem (CID 113359835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).