[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine

C13H21N3O — CID 83189352

IUPAC[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
SMILESCc1nc(OC2CCCCC2C)ncc1CN
InChIInChI=1S/C13H21N3O/c1-9-5-3-4-6-12(9)17-13-15-8-11(7-14)10(2)16-13/h8-9,12H,3-7,14H2,1-2H3
InChIKeyABSRVYJQLLEVRY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.20
Rot. Bonds3

About [4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine

[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine (PubChem CID 83189352) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
PubChem CID83189352
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
SMILESCc1nc(OC2CCCCC2C)ncc1CN
InChIInChI=1S/C13H21N3O/c1-9-5-3-4-6-12(9)17-13-15-8-11(7-14)10(2)16-13/h8-9,12H,3-7,14H2,1-2H3
InChIKeyABSRVYJQLLEVRY-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine (CID 83189352) is [4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine is Cc1nc(OC2CCCCC2C)ncc1CN.
What is the InChIKey of [4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine?
The InChIKey is ABSRVYJQLLEVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-3-4-6-12(9)17-13-15-8-11(7-14)10(2)16-13/h8-9,12H,3-7,14H2,1-2H3.
What are the key properties of [4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine?
[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).