[1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol

C11H18N4O — CID 62552151

IUPAC[1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESNc1cnc(NC2(CO)CCCCC2)nc1
InChIInChI=1S/C11H18N4O/c12-9-6-13-10(14-7-9)15-11(8-16)4-2-1-3-5-11/h6-7,16H,1-5,8,12H2,(H,13,14,15)
InChIKeyVAILXXFWALYDCC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.17
Rot. Bonds3

About [1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol

[1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol (PubChem CID 62552151) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol
PubChem CID62552151
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESNc1cnc(NC2(CO)CCCCC2)nc1
InChIInChI=1S/C11H18N4O/c12-9-6-13-10(14-7-9)15-11(8-16)4-2-1-3-5-11/h6-7,16H,1-5,8,12H2,(H,13,14,15)
InChIKeyVAILXXFWALYDCC-UHFFFAOYSA-N
XLogP1.17
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol (CID 62552151) is [1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol is Nc1cnc(NC2(CO)CCCCC2)nc1.
What is the InChIKey of [1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol?
The InChIKey is VAILXXFWALYDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9-6-13-10(14-7-9)15-11(8-16)4-2-1-3-5-11/h6-7,16H,1-5,8,12H2,(H,13,14,15).
What are the key properties of [1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol?
[1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol has a molecular weight of 222.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 62552151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).