3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C15H9Cl2F3N4O2 — CID 75454825

IUPAC3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2nc(Cl)ccc2Cl)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C15H9Cl2F3N4O2/c1-23-12-7(2-4-10(22-12)15(18,19)20)13(25)24(14(23)26)6-9-8(16)3-5-11(17)21-9/h2-5H,6H2,1H3
InChIKeyRGRMLGOLEOAEPK-UHFFFAOYSA-N
MW405.16 g/mol
LogP2.86
Rot. Bonds2

About 3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 75454825) has the molecular formula C15H9Cl2F3N4O2 and a molecular weight of 405.16 g/mol. Its IUPAC name is 3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID75454825
Molecular FormulaC15H9Cl2F3N4O2
Molecular Weight405.16 g/mol
Exact Mass404.01
IUPAC Name3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2nc(Cl)ccc2Cl)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C15H9Cl2F3N4O2/c1-23-12-7(2-4-10(22-12)15(18,19)20)13(25)24(14(23)26)6-9-8(16)3-5-11(17)21-9/h2-5H,6H2,1H3
InChIKeyRGRMLGOLEOAEPK-UHFFFAOYSA-N
XLogP2.86
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloroquinolin-3-yl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 38666709
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 33365682
1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 71933639
N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665433
1-methyl-3-[2-(4-methylphenoxy)ethyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 38666059
propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate
CID 33364929
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 33365062
N-(2-chloro-5-nitrophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665707
3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 166228226
3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 133058620
N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665559
N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665679

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 75454825) is 3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)n(Cc2nc(Cl)ccc2Cl)c(=O)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RGRMLGOLEOAEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N4O2/c1-23-12-7(2-4-10(22-12)15(18,19)20)13(25)24(14(23)26)6-9-8(16)3-5-11(17)21-9/h2-5H,6H2,1H3.
What are the key properties of 3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 405.16 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 75454825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).