1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one

C13H19N3O — CID 19987430

IUPAC1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)N(CC)CC1Cc1ccncn1
InChIInChI=1S/C13H19N3O/c1-3-12-10(8-16(4-2)13(12)17)7-11-5-6-14-9-15-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyDMJKJUAKRHRKFW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.52
Rot. Bonds4

About 1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one

1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 19987430) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one
PubChem CID19987430
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)N(CC)CC1Cc1ccncn1
InChIInChI=1S/C13H19N3O/c1-3-12-10(8-16(4-2)13(12)17)7-11-5-6-14-9-15-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyDMJKJUAKRHRKFW-UHFFFAOYSA-N
XLogP1.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide
CID 56867847
1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
CID 56870713
(3S,4S)-N-methyl-1-(2-methylpropanoyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92553173
(3S,4S)-N-methyl-1-propanoyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92585512
(3S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92610188
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110249232
[2-(Diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-pyrrolidin-1-ylmethanone
CID 71835984
4-(2-Methylpyrimidin-4-yl)pyrrolidin-2-one
CID 115529931
N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 56861804
7-Methyl-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 56863165
1-Tert-butyl-4-({methyl[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)pyrrolidin-2-one
CID 56874752
(3S)-4-(4-cyclopentylpyrimidin-2-yl)-1-ethyl-3-methylpiperazin-2-one
CID 95486453

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one (CID 19987430) is 1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one is CCC1C(=O)N(CC)CC1Cc1ccncn1.
What is the InChIKey of 1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is DMJKJUAKRHRKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-12-10(8-16(4-2)13(12)17)7-11-5-6-14-9-15-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 19987430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).