2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C13H21N3O — CID 137009914

IUPAC2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCC1CCN(c2cc(=O)[nH]c(CC)n2)C1
InChIInChI=1S/C13H21N3O/c1-3-5-10-6-7-16(9-10)12-8-13(17)15-11(4-2)14-12/h8,10H,3-7,9H2,1-2H3,(H,14,15,17)
InChIKeyVDESOEBEPOJIOO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds4

About 2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one

2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137009914) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID137009914
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCC1CCN(c2cc(=O)[nH]c(CC)n2)C1
InChIInChI=1S/C13H21N3O/c1-3-5-10-6-7-16(9-10)12-8-13(17)15-11(4-2)14-12/h8,10H,3-7,9H2,1-2H3,(H,14,15,17)
InChIKeyVDESOEBEPOJIOO-UHFFFAOYSA-N
XLogP1.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164
2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977975
2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706906
4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 137008600
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136979055
2-ethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009557
2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
2-ethyl-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009116
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989698
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136989428

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 137009914) is 2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one is CCCC1CCN(c2cc(=O)[nH]c(CC)n2)C1.
What is the InChIKey of 2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VDESOEBEPOJIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-5-10-6-7-16(9-10)12-8-13(17)15-11(4-2)14-12/h8,10H,3-7,9H2,1-2H3,(H,14,15,17).
What are the key properties of 2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137009914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).