N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine

C13H22N4 — CID 113328848

IUPACN-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1ccnc(C)n1
InChIInChI=1S/C13H22N4/c1-11-15-7-6-12(16-11)10-17-8-4-3-5-13(17)9-14-2/h6-7,13-14H,3-5,8-10H2,1-2H3
InChIKeyDZKKZKJWXGLDFT-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.36
Rot. Bonds4

About N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine

N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 113328848) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
PubChem CID113328848
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1ccnc(C)n1
InChIInChI=1S/C13H22N4/c1-11-15-7-6-12(16-11)10-17-8-4-3-5-13(17)9-14-2/h6-7,13-14H,3-5,8-10H2,1-2H3
InChIKeyDZKKZKJWXGLDFT-UHFFFAOYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine (CID 113328848) is N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine is CNCC1CCCCN1Cc1ccnc(C)n1.
What is the InChIKey of N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is DZKKZKJWXGLDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-15-7-6-12(16-11)10-17-8-4-3-5-13(17)9-14-2/h6-7,13-14H,3-5,8-10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 113328848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).