[6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine

C12H20N4 — CID 62586363

IUPAC[6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine
SMILESCc1cc(N2CC(CN)CCC2C)ncn1
InChIInChI=1S/C12H20N4/c1-9-5-12(15-8-14-9)16-7-11(6-13)4-3-10(16)2/h5,8,10-11H,3-4,6-7,13H2,1-2H3
InChIKeyDTJNSJGSQVOQDY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.35
Rot. Bonds2

About [6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine

[6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine (PubChem CID 62586363) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine
PubChem CID62586363
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine
SMILESCc1cc(N2CC(CN)CCC2C)ncn1
InChIInChI=1S/C12H20N4/c1-9-5-12(15-8-14-9)16-7-11(6-13)4-3-10(16)2/h5,8,10-11H,3-4,6-7,13H2,1-2H3
InChIKeyDTJNSJGSQVOQDY-UHFFFAOYSA-N
XLogP1.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of [6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine (CID 62586363) is [6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine is Cc1cc(N2CC(CN)CCC2C)ncn1.
What is the InChIKey of [6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine?
The InChIKey is DTJNSJGSQVOQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-5-12(15-8-14-9)16-7-11(6-13)4-3-10(16)2/h5,8,10-11H,3-4,6-7,13H2,1-2H3.
What are the key properties of [6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine?
[6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 62586363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).