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

C13H22N4O — CID 136977975

IUPAC2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(CNC)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17-6-4-10(5-7-17)9-14-2/h8,10,14H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyNNLQZQPRVKAGOD-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.77
Rot. Bonds4

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

2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136977975) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136977975
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(CNC)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17-6-4-10(5-7-17)9-14-2/h8,10,14H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyNNLQZQPRVKAGOD-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
2-ethyl-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009116
2-ethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009557
2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009914
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989698
2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706906
2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136989887
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136979055
4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 137008600
2-methyl-4-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007800

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136977975) is 2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is CCc1nc(N2CCC(CNC)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is NNLQZQPRVKAGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17-6-4-10(5-7-17)9-14-2/h8,10,14H,3-7,9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).