N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine

C14H24N4 — CID 164635586

IUPACN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESC[C@H]1CCCCN1CCN(C)Cc1cncnc1
InChIInChI=1S/C14H24N4/c1-13-5-3-4-6-18(13)8-7-17(2)11-14-9-15-12-16-10-14/h9-10,12-13H,3-8,11H2,1-2H3/t13-/m0/s1
InChIKeySWCNFSSDFNVDIJ-ZDUSSCGKSA-N
MW248.37 g/mol
LogP1.78
Rot. Bonds5

About N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine

N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 164635586) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID164635586
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESC[C@H]1CCCCN1CCN(C)Cc1cncnc1
InChIInChI=1S/C14H24N4/c1-13-5-3-4-6-18(13)8-7-17(2)11-14-9-15-12-16-10-14/h9-10,12-13H,3-8,11H2,1-2H3/t13-/m0/s1
InChIKeySWCNFSSDFNVDIJ-ZDUSSCGKSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine (CID 164635586) is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine is C[C@H]1CCCCN1CCN(C)Cc1cncnc1.
What is the InChIKey of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is SWCNFSSDFNVDIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4/c1-13-5-3-4-6-18(13)8-7-17(2)11-14-9-15-12-16-10-14/h9-10,12-13H,3-8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine?
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 164635586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).