1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione

C12H19N3O2 — CID 115042065

IUPAC1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
SMILESCn1c(CCC2CCNC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O2/c1-14-10(4-3-9-5-6-13-8-9)7-11(16)15(2)12(14)17/h7,9,13H,3-6,8H2,1-2H3
InChIKeyATOHXXLQHXQWNN-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.37
Rot. Bonds3

About 1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione

1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione (PubChem CID 115042065) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
PubChem CID115042065
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
SMILESCn1c(CCC2CCNC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O2/c1-14-10(4-3-9-5-6-13-8-9)7-11(16)15(2)12(14)17/h7,9,13H,3-6,8H2,1-2H3
InChIKeyATOHXXLQHXQWNN-UHFFFAOYSA-N
XLogP-0.37
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63908860
4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one
CID 167762843
2,4-dimethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazol-3-one
CID 83857019
4-methyl-2-(2-pyrrolidin-3-ylethyl)-1,2,4-triazol-3-one
CID 130987404
2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054456
3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054563
2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115054511
1-methyl-3-(2-pyrrolidin-3-ylethyl)pyrazol-5-amine
CID 83847502
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054457
7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 63624009

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione (CID 115042065) is 1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione is Cn1c(CCC2CCNC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione?
The InChIKey is ATOHXXLQHXQWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-10(4-3-9-5-6-13-8-9)7-11(16)15(2)12(14)17/h7,9,13H,3-6,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione?
1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115042065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).