2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine

C13H21N3O — CID 116775559

IUPAC2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCOC(c1nc(C)cc(N)n1)C1CCCCC1
InChIInChI=1S/C13H21N3O/c1-9-8-11(14)16-13(15-9)12(17-2)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyUEXKUTWQLOELHF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.64
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine

2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine (PubChem CID 116775559) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
PubChem CID116775559
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCOC(c1nc(C)cc(N)n1)C1CCCCC1
InChIInChI=1S/C13H21N3O/c1-9-8-11(14)16-13(15-9)12(17-2)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyUEXKUTWQLOELHF-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 116778665
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731176
2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine
CID 116777085
5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743414
[6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine
CID 116777556
4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
CID 116745974
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-cyclohexylacetonitrile
CID 56791136
5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116776477
6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine
CID 102551444
2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116775882
2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776109

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine (CID 116775559) is 2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine is COC(c1nc(C)cc(N)n1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is UEXKUTWQLOELHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-8-11(14)16-13(15-9)12(17-2)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine?
2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116775559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).