1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine

C14H24N4 — CID 164636442

IUPAC1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
SMILESCCN1CCCC[C@@H]1CNCc1cnc(C)nc1
InChIInChI=1S/C14H24N4/c1-3-18-7-5-4-6-14(18)11-15-8-13-9-16-12(2)17-10-13/h9-10,14-15H,3-8,11H2,1-2H3/t14-/m1/s1
InChIKeyKZBJJFCSMVTZMT-CQSZACIVSA-N
MW248.37 g/mol
LogP1.75
Rot. Bonds5

About 1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine

1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine (PubChem CID 164636442) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
PubChem CID164636442
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
SMILESCCN1CCCC[C@@H]1CNCc1cnc(C)nc1
InChIInChI=1S/C14H24N4/c1-3-18-7-5-4-6-14(18)11-15-8-13-9-16-12(2)17-10-13/h9-10,14-15H,3-8,11H2,1-2H3/t14-/m1/s1
InChIKeyKZBJJFCSMVTZMT-CQSZACIVSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine (CID 164636442) is 1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine is CCN1CCCC[C@@H]1CNCc1cnc(C)nc1.
What is the InChIKey of 1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is KZBJJFCSMVTZMT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-18-7-5-4-6-14(18)11-15-8-13-9-16-12(2)17-10-13/h9-10,14-15H,3-8,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine?
1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 164636442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).