[2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine

C13H21N3O — CID 107542696

IUPAC[2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine
SMILESCC1CCC(Oc2nccc(CN)n2)CC1C
InChIInChI=1S/C13H21N3O/c1-9-3-4-12(7-10(9)2)17-13-15-6-5-11(8-14)16-13/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3
InChIKeyMAJVLKHMESRTBC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds3

About [2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine

[2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine (PubChem CID 107542696) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine
PubChem CID107542696
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine
SMILESCC1CCC(Oc2nccc(CN)n2)CC1C
InChIInChI=1S/C13H21N3O/c1-9-3-4-12(7-10(9)2)17-13-15-6-5-11(8-14)16-13/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3
InChIKeyMAJVLKHMESRTBC-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine?
The IUPAC name of [2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine (CID 107542696) is [2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine is CC1CCC(Oc2nccc(CN)n2)CC1C.
What is the InChIKey of [2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine?
The InChIKey is MAJVLKHMESRTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-3-4-12(7-10(9)2)17-13-15-6-5-11(8-14)16-13/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3.
What are the key properties of [2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine?
[2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylcyclohexyl)oxypyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).