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

C13H22N4O — CID 136780982

IUPAC2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC)CC2CCCN2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17(4-2)9-10-6-5-7-14-10/h8,10,14H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyOUAFEZPUYQTARG-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.91
Rot. Bonds5

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

2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136780982) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136780982
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(CC)CC2CCCN2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17(4-2)9-10-6-5-7-14-10/h8,10,14H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyOUAFEZPUYQTARG-UHFFFAOYSA-N
XLogP0.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

2-(Pyrrolidin-2-yl)pyrimidin-4-ol
CID 63362689
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555529
2,6-Dimethyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 63768678
2-(1-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667044
2-(Aminomethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84676229
2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
2-(2-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687779
2-(3-Aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819772
2,6-dimethyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819773

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136780982) is 2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CCc1nc(N(CC)CC2CCCN2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is OUAFEZPUYQTARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-15-12(8-13(18)16-11)17(4-2)9-10-6-5-7-14-10/h8,10,14H,3-7,9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).