1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione

C21H19N3O2 — CID 155560748

IUPAC1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione
SMILESC=C(c1ccc2c(c1)c1ccccc1n2C)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C21H19N3O2/c1-13(17-12-22(2)21(26)24(4)20(17)25)14-9-10-19-16(11-14)15-7-5-6-8-18(15)23(19)3/h5-12H,1H2,2-4H3
InChIKeyYPXKBHISOGHSPS-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.79
Rot. Bonds2

About 1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione (PubChem CID 155560748) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione
PubChem CID155560748
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione
SMILESC=C(c1ccc2c(c1)c1ccccc1n2C)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C21H19N3O2/c1-13(17-12-22(2)21(26)24(4)20(17)25)14-9-10-19-16(11-14)15-7-5-6-8-18(15)23(19)3/h5-12H,1H2,2-4H3
InChIKeyYPXKBHISOGHSPS-UHFFFAOYSA-N
XLogP2.79
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-((Acetyl-Methyl-Amino)-Methyl)-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide
CID 447018
2-[9-(3-Methylbutyl)carbazol-3-yl]acetamide
CID 1914589
3,6-Diacetyl-9-ethylcarbazole
CID 622083
5-(1-Ethyl-1H-indol-3-ylmethylene)-1,3-dimethyl-pyrimidine-2,4,6-trione
CID 3118177
Cyclohexanecarboxylic acid (1-ethyl-5-methyl-1H-indol-2-ylmethyl)-amide
CID 6498753
N-(1-Ethyl-5-methyl-1H-indol-2-ylmethyl)-2-fluoro-benzamide
CID 6498756
2-(2-benzoyl-8-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid
CID 11516353
2-(2-benzoyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid
CID 11595451
1-Benzyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,3-dimethyl-1H-indole
CID 16025869
N-Ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 20940223
[3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-indol-1-yl]-phenyl-methanone
CID 23288143
(9-pentyl-9H-carbazol-3-yl)(piperidin-1-yl)methanone
CID 46871949

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione (CID 155560748) is 1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione is C=C(c1ccc2c(c1)c1ccccc1n2C)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione?
The InChIKey is YPXKBHISOGHSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13(17-12-22(2)21(26)24(4)20(17)25)14-9-10-19-16(11-14)15-7-5-6-8-18(15)23(19)3/h5-12H,1H2,2-4H3.
What are the key properties of 1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 155560748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).