[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol

C13H21N3O2 — CID 112753377

IUPAC[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESCOc1cc(C)nc(NC2CCCC(CO)C2)n1
InChIInChI=1S/C13H21N3O2/c1-9-6-12(18-2)16-13(14-9)15-11-5-3-4-10(7-11)8-17/h6,10-11,17H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyROKHGLHGBFYZJX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.76
Rot. Bonds4

About [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol

[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol (PubChem CID 112753377) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
PubChem CID112753377
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESCOc1cc(C)nc(NC2CCCC(CO)C2)n1
InChIInChI=1S/C13H21N3O2/c1-9-6-12(18-2)16-13(14-9)15-11-5-3-4-10(7-11)8-17/h6,10-11,17H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyROKHGLHGBFYZJX-UHFFFAOYSA-N
XLogP1.76
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol with MolForge

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Related Compounds

1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine
CID 112634754
[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentyl]methanol
CID 113243952
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
CID 112634935
N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112695265
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol (CID 112753377) is [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol is COc1cc(C)nc(NC2CCCC(CO)C2)n1.
What is the InChIKey of [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol?
The InChIKey is ROKHGLHGBFYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-6-12(18-2)16-13(14-9)15-11-5-3-4-10(7-11)8-17/h6,10-11,17H,3-5,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol?
[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 112753377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).