[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine

C12H20N4 — CID 103440531

IUPAC[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ccncn2)C(CN)C1
InChIInChI=1S/C12H20N4/c1-10-3-5-16(12(6-10)7-13)8-11-2-4-14-9-15-11/h2,4,9-10,12H,3,5-8,13H2,1H3
InChIKeyJFAMVTSGWLNVMK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.04
Rot. Bonds3

About [4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine

[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine (PubChem CID 103440531) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine
PubChem CID103440531
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ccncn2)C(CN)C1
InChIInChI=1S/C12H20N4/c1-10-3-5-16(12(6-10)7-13)8-11-2-4-14-9-15-11/h2,4,9-10,12H,3,5-8,13H2,1H3
InChIKeyJFAMVTSGWLNVMK-UHFFFAOYSA-N
XLogP1.04
TPSA55.04 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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanamine
CID 103440446
2-methyl-1-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 115312023
[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440529
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
CID 103440378
[4-methyl-1-[(4-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 103440433
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
[1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440485
[4-methyl-1-(1-pyridin-4-ylethyl)piperidin-2-yl]methanamine
CID 103440649
[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440770
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
CID 103440726

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine (CID 103440531) is [4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine is CC1CCN(Cc2ccncn2)C(CN)C1.
What is the InChIKey of [4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine?
The InChIKey is JFAMVTSGWLNVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-3-5-16(12(6-10)7-13)8-11-2-4-14-9-15-11/h2,4,9-10,12H,3,5-8,13H2,1H3.
What are the key properties of [4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine?
[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103440531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).