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

C15H24N4O — CID 136805284

IUPAC4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC2CCCCN2)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O/c1-2-13-17-14(9-15(20)18-13)19(12-6-7-12)10-11-5-3-4-8-16-11/h9,11-12,16H,2-8,10H2,1H3,(H,17,18,20)
InChIKeyMLQMJAIEFPRUQJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.44
Rot. Bonds5

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

4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136805284) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136805284
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC2CCCCN2)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O/c1-2-13-17-14(9-15(20)18-13)19(12-6-7-12)10-11-5-3-4-8-16-11/h9,11-12,16H,2-8,10H2,1H3,(H,17,18,20)
InChIKeyMLQMJAIEFPRUQJ-UHFFFAOYSA-N
XLogP1.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221568
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 55221569
2-piperidin-2-yl-1H-pyrimidin-6-one
CID 63362648
2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63362941
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
2-amino-4-(4-heptan-4-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136056238

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136805284) is 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(CC2CCCCN2)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is MLQMJAIEFPRUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-13-17-14(9-15(20)18-13)19(12-6-7-12)10-11-5-3-4-8-16-11/h9,11-12,16H,2-8,10H2,1H3,(H,17,18,20).
What are the key properties of 4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.44, 5 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-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).