4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one

C10H15N3O — CID 82105268

IUPAC4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one
SMILESCc1cc(C)n(C2CCNC2)c(=O)n1
InChIInChI=1S/C10H15N3O/c1-7-5-8(2)13(10(14)12-7)9-3-4-11-6-9/h5,9,11H,3-4,6H2,1-2H3
InChIKeyRQZBQIPVZXTUST-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.39
Rot. Bonds1

About 4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one

4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one (PubChem CID 82105268) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one
PubChem CID82105268
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one
SMILESCc1cc(C)n(C2CCNC2)c(=O)n1
InChIInChI=1S/C10H15N3O/c1-7-5-8(2)13(10(14)12-7)9-3-4-11-6-9/h5,9,11H,3-4,6H2,1-2H3
InChIKeyRQZBQIPVZXTUST-UHFFFAOYSA-N
XLogP0.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Amino-1,1,1-trifluorobutan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43753201
1-(2-aminoethyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 1511764
4,6-Dimethyl-1-[2-(methylamino)ethyl]pyrimidin-2-one
CID 61386999
4,6-Dimethyl-1-[2-(propan-2-ylamino)ethyl]pyrimidin-2-one
CID 61387026
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)ethylazanium
CID 7200828
1-(3-Aminopropyl)-4,6-dimethylpyrimidin-2-one
CID 16788264
1-(2-Aminopropyl)-4,6-dimethylpyrimidin-2-one
CID 16794315
1-(2-Amino-3,3-dimethylbutyl)-4,6-dimethylpyrimidin-2-one
CID 16795272
1-(4-Aminobutyl)-4,6-dimethylpyrimidin-2-one
CID 20113355
1-[(2R)-2-aminopropyl]-4,6-dimethylpyrimidin-2-one
CID 28109569
1-[(2S)-2-aminopropyl]-4,6-dimethylpyrimidin-2-one
CID 28109571
1-(1-Aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one
CID 43428358

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one (CID 82105268) is 4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one is Cc1cc(C)n(C2CCNC2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one?
The InChIKey is RQZBQIPVZXTUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-5-8(2)13(10(14)12-7)9-3-4-11-6-9/h5,9,11H,3-4,6H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one?
4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one is sourced from PubChem (CID 82105268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).