2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol

C11H18N4O — CID 102631354

IUPAC2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ncncc1N)C1CCCCC1O
InChIInChI=1S/C11H18N4O/c1-15(9-4-2-3-5-10(9)16)11-8(12)6-13-7-14-11/h6-7,9-10,16H,2-5,12H2,1H3
InChIKeyVQXIWLUOHIBCMB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.80
Rot. Bonds2

About 2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol

2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102631354) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
PubChem CID102631354
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ncncc1N)C1CCCCC1O
InChIInChI=1S/C11H18N4O/c1-15(9-4-2-3-5-10(9)16)11-8(12)6-13-7-14-11/h6-7,9-10,16H,2-5,12H2,1H3
InChIKeyVQXIWLUOHIBCMB-UHFFFAOYSA-N
XLogP0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol (CID 102631354) is 2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol is CN(c1ncncc1N)C1CCCCC1O.
What is the InChIKey of 2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is VQXIWLUOHIBCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(9-4-2-3-5-10(9)16)11-8(12)6-13-7-14-11/h6-7,9-10,16H,2-5,12H2,1H3.
What are the key properties of 2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).