N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine

C12H22N4 — CID 144950487

IUPACN-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine
SMILESCNC1CCN(CC2=CC(C)N=CN2)CC1
InChIInChI=1S/C12H22N4/c1-10-7-12(15-9-14-10)8-16-5-3-11(13-2)4-6-16/h7,9-11,13H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyZBUXUYURVKFXMG-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.57
Rot. Bonds3

About N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine

N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine (PubChem CID 144950487) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine
PubChem CID144950487
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine
SMILESCNC1CCN(CC2=CC(C)N=CN2)CC1
InChIInChI=1S/C12H22N4/c1-10-7-12(15-9-14-10)8-16-5-3-11(13-2)4-6-16/h7,9-11,13H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyZBUXUYURVKFXMG-UHFFFAOYSA-N
XLogP0.57
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine
CID 90453784
7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine
CID 91305367
4-(Piperazin-1-ylmethyl)-1,3-diazabicyclo[4.1.0]hepta-2,4-diene
CID 123702320
4-methyl-6-[1-(methylamino)ethyl]-1H-pyrimidin-4-amine
CID 135136164
(NZ)-N-(aminomethylidene)-N'-[(6-methylidene-2,3-dihydro-1H-pyridin-4-yl)methyl]piperazine-1-carboximidamide;ethane
CID 141771425
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
N'-methyl-N-[(Z)-1-piperidin-1-ylbut-2-en-2-yl]methanimidamide
CID 144301886
1,2,3,4,5a,6,7,8-Octahydropyrazino[1,2-a]benzimidazol-7-amine
CID 144409935
(3S)-1-[C-(2-amino-3-methylbut-1-enyl)-N-methylcarbonimidoyl]piperidin-3-amine
CID 173510966
2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine
CID 143931900

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine (CID 144950487) is N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine is CNC1CCN(CC2=CC(C)N=CN2)CC1.
What is the InChIKey of N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine?
The InChIKey is ZBUXUYURVKFXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-7-12(15-9-14-10)8-16-5-3-11(13-2)4-6-16/h7,9-11,13H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine?
N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine has a molecular weight of 222.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 144950487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).