2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C12H20N4O — CID 80841458

IUPAC2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1c(N)ncnc1NCC1CCCCC1O
InChIInChI=1S/C12H20N4O/c1-8-11(13)15-7-16-12(8)14-6-9-4-2-3-5-10(9)17/h7,9-10,17H,2-6H2,1H3,(H3,13,14,15,16)
InChIKeyUDNZVRRQHLVGEW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.33
Rot. Bonds3

About 2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 80841458) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID80841458
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1c(N)ncnc1NCC1CCCCC1O
InChIInChI=1S/C12H20N4O/c1-8-11(13)15-7-16-12(8)14-6-9-4-2-3-5-10(9)17/h7,9-10,17H,2-6H2,1H3,(H3,13,14,15,16)
InChIKeyUDNZVRRQHLVGEW-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 80841458) is 2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Cc1c(N)ncnc1NCC1CCCCC1O.
What is the InChIKey of 2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is UDNZVRRQHLVGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-11(13)15-7-16-12(8)14-6-9-4-2-3-5-10(9)17/h7,9-10,17H,2-6H2,1H3,(H3,13,14,15,16).
What are the key properties of 2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80841458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).