6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine

C13H21N3O — CID 102551444

IUPAC6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine
SMILESCOC(C)c1nc(N)cc(C2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-9(17-2)13-15-11(8-12(14)16-13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyWNBAEHXKCHIIBF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.81
Rot. Bonds3

About 6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine

6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine (PubChem CID 102551444) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine
PubChem CID102551444
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine
SMILESCOC(C)c1nc(N)cc(C2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-9(17-2)13-15-11(8-12(14)16-13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyWNBAEHXKCHIIBF-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Isobutoxy-6-(3-methyl-butyl)-pyrimidin-4-yl]-isobutylamine
CID 25129168
6-(cis-3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 91761352
4-Cyclohexyl-2,6-dimethylpyrimidine
CID 102162386
1-[(2-Methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol
CID 56707248
(3S*,4R*)-1-(6-isopropyl-2-methylpyrimidin-4-yl)-3-methoxypiperidin-4-amine
CID 56878500
4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine
CID 95550593
4-(2-Fluoropropan-2-yl)-2-(methoxymethyl)-6-methylpyrimidine
CID 59096541
2-[(1R)-2,2-difluoro-1-methoxycyclopropyl]-4-methyl-6-propan-2-ylpyrimidine
CID 178719959
2-Methyl-6-(pentan-3-yl)pyrimidin-4-amine
CID 13398202
4-(2-Methyl-6-propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
CID 56861593
cis-3-[6-(4-Fluoro-1-piperidinyl)-2-(methoxymethyl)-4-pyrimidinyl]cyclobutanamine dihydrochloride
CID 91797711
2-[2-(2,2-Difluoroethoxy)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 103150273

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine (CID 102551444) is 6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine is COC(C)c1nc(N)cc(C2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine?
The InChIKey is WNBAEHXKCHIIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(17-2)13-15-11(8-12(14)16-13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine?
6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 102551444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).