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

C12H20N4 — CID 62958741

IUPACN-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C12H20N4/c1-10-5-6-14-12(15-10)16-7-3-4-11(9-16)8-13-2/h5-6,11,13H,3-4,7-9H2,1-2H3
InChIKeyNKJNDPXPRNSDRQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.22
Rot. Bonds3

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

N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine (PubChem CID 62958741) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
PubChem CID62958741
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C12H20N4/c1-10-5-6-14-12(15-10)16-7-3-4-11(9-16)8-13-2/h5-6,11,13H,3-4,7-9H2,1-2H3
InChIKeyNKJNDPXPRNSDRQ-UHFFFAOYSA-N
XLogP1.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
N-methyl-1-[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methanamine
CID 130921522
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 156651528
2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
CID 129349446
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63853871
N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 55152111
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine (CID 62958741) is N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine is CNCC1CCCN(c2nccc(C)n2)C1.
What is the InChIKey of N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine?
The InChIKey is NKJNDPXPRNSDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-5-6-14-12(15-10)16-7-3-4-11(9-16)8-13-2/h5-6,11,13H,3-4,7-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 62958741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).