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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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).