4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one

C11H17N3O — CID 136958092

IUPAC4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCCC1CCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C11H17N3O/c1-3-9-4-5-14(7-9)10-6-11(15)13-8(2)12-10/h6,9H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeySTNDQZDIHILEAN-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.31
Rot. Bonds2

About 4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136958092) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136958092
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCCC1CCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C11H17N3O/c1-3-9-4-5-14(7-9)10-6-11(15)13-8(2)12-10/h6,9H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeySTNDQZDIHILEAN-UHFFFAOYSA-N
XLogP1.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957825
2-methyl-4-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007800
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977973
2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957819
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842971
2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009914
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136958092) is 4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one is CCC1CCN(c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is STNDQZDIHILEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-9-4-5-14(7-9)10-6-11(15)13-8(2)12-10/h6,9H,3-5,7H2,1-2H3,(H,12,13,15).
What are the key properties of 4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).