1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione

C19H25N3O2 — CID 95120369

IUPAC1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione
SMILESCc1c(-c2cccc([C@H](C)N3CCCC3)c2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C19H25N3O2/c1-13(22-10-5-6-11-22)15-8-7-9-16(12-15)17-14(2)20(3)19(24)21(4)18(17)23/h7-9,12-13H,5-6,10-11H2,1-4H3/t13-/m0/s1
InChIKeyITMBBZNOYYKRRP-ZDUSSCGKSA-N
MW327.43 g/mol
LogP2.22
Rot. Bonds3

About 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione

1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione (PubChem CID 95120369) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione
PubChem CID95120369
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione
SMILESCc1c(-c2cccc([C@H](C)N3CCCC3)c2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C19H25N3O2/c1-13(22-10-5-6-11-22)15-8-7-9-16(12-15)17-14(2)20(3)19(24)21(4)18(17)23/h7-9,12-13H,5-6,10-11H2,1-4H3/t13-/m0/s1
InChIKeyITMBBZNOYYKRRP-ZDUSSCGKSA-N
XLogP2.22
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
CID 155497871
6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione
CID 95120206
3-methyl-6-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1,4-dihydroquinazolin-2-one
CID 125437544
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
5-chloro-2-methyl-4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrimidin-6-one
CID 136915021
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
5-[3,5-dimethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazol-1-yl]-2H-tetrazole
CID 50948643
formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one
CID 154907704
2-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 122565779

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione (CID 95120369) is 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione is Cc1c(-c2cccc([C@H](C)N3CCCC3)c2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione?
The InChIKey is ITMBBZNOYYKRRP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(22-10-5-6-11-22)15-8-7-9-16(12-15)17-14(2)20(3)19(24)21(4)18(17)23/h7-9,12-13H,5-6,10-11H2,1-4H3/t13-/m0/s1.
What are the key properties of 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione?
1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione has a molecular weight of 327.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 95120369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).