4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one

C14H22N4O — CID 136805289

IUPAC4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CC2CCCCN2)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O/c1-10-16-13(8-14(19)17-10)18(12-5-6-12)9-11-4-2-3-7-15-11/h8,11-12,15H,2-7,9H2,1H3,(H,16,17,19)
InChIKeyVKTVSZDAABPUDI-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.19
Rot. Bonds4

About 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136805289) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136805289
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CC2CCCCN2)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O/c1-10-16-13(8-14(19)17-10)18(12-5-6-12)9-11-4-2-3-7-15-11/h8,11-12,15H,2-7,9H2,1H3,(H,16,17,19)
InChIKeyVKTVSZDAABPUDI-UHFFFAOYSA-N
XLogP1.19
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 136896441
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-[(3R)-3-(cyclopropylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 168958216
2-[3-(cyclopropylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 169743680
2-[cyclopropyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 170731645
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 55221569
2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 63362942
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
2,6-Dimethyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 63768849
2-(Aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84687782
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136805289) is 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(CC2CCCCN2)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VKTVSZDAABPUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-16-13(8-14(19)17-10)18(12-5-6-12)9-11-4-2-3-7-15-11/h8,11-12,15H,2-7,9H2,1H3,(H,16,17,19).
What are the key properties of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).