[2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

C13H22N4O — CID 80856530

IUPAC[2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCc1cc(NCC2CCCCC2CO)nc(N)n1
InChIInChI=1S/C13H22N4O/c1-9-6-12(17-13(14)16-9)15-7-10-4-2-3-5-11(10)8-18/h6,10-11,18H,2-5,7-8H2,1H3,(H3,14,15,16,17)
InChIKeyGPFCOGQTTBBHSW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.58
Rot. Bonds4

About [2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

[2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 80856530) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID80856530
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCc1cc(NCC2CCCCC2CO)nc(N)n1
InChIInChI=1S/C13H22N4O/c1-9-6-12(17-13(14)16-9)15-7-10-4-2-3-5-11(10)8-18/h6,10-11,18H,2-5,7-8H2,1H3,(H3,14,15,16,17)
InChIKeyGPFCOGQTTBBHSW-UHFFFAOYSA-N
XLogP1.58
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 80856530) is [2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is Cc1cc(NCC2CCCCC2CO)nc(N)n1.
What is the InChIKey of [2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is GPFCOGQTTBBHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-6-12(17-13(14)16-9)15-7-10-4-2-3-5-11(10)8-18/h6,10-11,18H,2-5,7-8H2,1H3,(H3,14,15,16,17).
What are the key properties of [2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 80856530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).