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

C15H26N4O — CID 136781007

IUPAC4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCCCN(CC1CCCN1)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C15H26N4O/c1-3-5-9-19(11-12-7-6-8-16-12)14-10-15(20)18-13(4-2)17-14/h10,12,16H,3-9,11H2,1-2H3,(H,17,18,20)
InChIKeyUQJNZKVIBLBWKY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.69
Rot. Bonds7

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

4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136781007) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136781007
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCCCN(CC1CCCN1)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C15H26N4O/c1-3-5-9-19(11-12-7-6-8-16-12)14-10-15(20)18-13(4-2)17-14/h10,12,16H,3-9,11H2,1-2H3,(H,17,18,20)
InChIKeyUQJNZKVIBLBWKY-UHFFFAOYSA-N
XLogP1.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.69
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 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136781007) is 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCCCN(CC1CCCN1)c1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is UQJNZKVIBLBWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-5-9-19(11-12-7-6-8-16-12)14-10-15(20)18-13(4-2)17-14/h10,12,16H,3-9,11H2,1-2H3,(H,17,18,20).
What are the key properties of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136781007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).