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

C13H22N4 — CID 115527232

IUPAC[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
SMILESCc1nccc(CN2CCCC(C)C2CN)n1
InChIInChI=1S/C13H22N4/c1-10-4-3-7-17(13(10)8-14)9-12-5-6-15-11(2)16-12/h5-6,10,13H,3-4,7-9,14H2,1-2H3
InChIKeyISPKZRHQELMEQQ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.34
Rot. Bonds3

About [3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine

[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 115527232) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
PubChem CID115527232
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
SMILESCc1nccc(CN2CCCC(C)C2CN)n1
InChIInChI=1S/C13H22N4/c1-10-4-3-7-17(13(10)8-14)9-12-5-6-15-11(2)16-12/h5-6,10,13H,3-4,7-9,14H2,1-2H3
InChIKeyISPKZRHQELMEQQ-UHFFFAOYSA-N
XLogP1.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115527317
[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 113457157
[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 102783996
[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926244
[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine
CID 62935912
[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 83089793
N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 113328848
[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120841155
2-[(2-methylpyrimidin-4-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79940082
(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
CID 95354948
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529748
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
CID 115529605

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine (CID 115527232) is [3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine is Cc1nccc(CN2CCCC(C)C2CN)n1.
What is the InChIKey of [3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is ISPKZRHQELMEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-4-3-7-17(13(10)8-14)9-12-5-6-15-11(2)16-12/h5-6,10,13H,3-4,7-9,14H2,1-2H3.
What are the key properties of [3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine?
[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 115527232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).