6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione

C18H17F3N4O2 — CID 167998552

IUPAC6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC1=CN=C2C(C(=O)N(C)C(=O)N2C)/C1=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O2/c1-4-10-9-22-15-13(16(26)25(3)17(27)24(15)2)14(10)23-12-7-5-6-11(8-12)18(19,20)21/h5-9,13H,4H2,1-3H3/b23-14+
InChIKeyCTXMYAKFLKATKZ-OEAKJJBVSA-N
MW378.35 g/mol
LogP3.62
Rot. Bonds2

About 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione

6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 167998552) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID167998552
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC1=CN=C2C(C(=O)N(C)C(=O)N2C)/C1=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O2/c1-4-10-9-22-15-13(16(26)25(3)17(27)24(15)2)14(10)23-12-7-5-6-11(8-12)18(19,20)21/h5-9,13H,4H2,1-3H3/b23-14+
InChIKeyCTXMYAKFLKATKZ-OEAKJJBVSA-N
XLogP3.62
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione
CID 167998551
5-[2-(cyclohexen-1-yl)ethylimino]-6-ethyl-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
CID 167999035
(6S)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxylic acid
CID 700592
1,3,9-trimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-purin-9-ium-2,6-dione
CID 78469014
1-[(4-methylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 1041520
1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
CID 78482453
1-[4-hydroxy-3-[(2-methylcyclopropyl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 143273663
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 10452413
1-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-3H-indol-2-one
CID 175883414
1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 17386938
N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 41242549
ethyl 4-[[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 5203774

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione (CID 167998552) is 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione is CCC1=CN=C2C(C(=O)N(C)C(=O)N2C)/C1=N/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CTXMYAKFLKATKZ-OEAKJJBVSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-4-10-9-22-15-13(16(26)25(3)17(27)24(15)2)14(10)23-12-7-5-6-11(8-12)18(19,20)21/h5-9,13H,4H2,1-3H3/b23-14+.
What are the key properties of 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione?
6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 378.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167998552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).