N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine

C12H20N4 — CID 63854224

IUPACN-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine
SMILESCNC(C)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C12H20N4/c1-10(13-2)11-4-7-16(8-5-11)12-3-6-14-9-15-12/h3,6,9-11,13H,4-5,7-8H2,1-2H3
InChIKeyYNSMFATXXYUSCF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.30
Rot. Bonds3

About N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine

N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine (PubChem CID 63854224) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine
PubChem CID63854224
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine
SMILESCNC(C)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C12H20N4/c1-10(13-2)11-4-7-16(8-5-11)12-3-6-14-9-15-12/h3,6,9-11,13H,4-5,7-8H2,1-2H3
InChIKeyYNSMFATXXYUSCF-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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-pyrimidin-4-ylpiperidin-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine (CID 63854224) is N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine is CNC(C)C1CCN(c2ccncn2)CC1.
What is the InChIKey of N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine?
The InChIKey is YNSMFATXXYUSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(13-2)11-4-7-16(8-5-11)12-3-6-14-9-15-12/h3,6,9-11,13H,4-5,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine?
N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.30, 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-pyrimidin-4-ylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 63854224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).