2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one

C13H22N4O — CID 136978140

IUPAC2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC)C2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17(4-2)10-6-5-7-14-9-10/h8,10,14H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyIQCCEOIARBSWMA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.91
Rot. Bonds4

About 2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136978140) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136978140
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC)C2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17(4-2)10-6-5-7-14-9-10/h8,10,14H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyIQCCEOIARBSWMA-UHFFFAOYSA-N
XLogP0.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
N-ethyl-4,6-dimethyl-N-piperidin-3-ylpyrimidin-2-amine
CID 55245888
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136978638
2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
CID 136740724
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979257
2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978098
2-[ethyl(piperidin-3-yl)amino]pyridine-4-carboxamide
CID 55244733
N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
CID 112676152
6-[ethyl(piperidin-3-yl)amino]pyridine-3-carboxamide
CID 63637691
N-ethyl-4-methyl-N-piperidin-3-ylpyrimidin-2-amine
CID 63637344

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136978140) is 2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one is CCc1nc(N(CC)C2CCCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is IQCCEOIARBSWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17(4-2)10-6-5-7-14-9-10/h8,10,14H,3-7,9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).