5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione

C10H7ClF3N3O2 — CID 177214383

IUPAC5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Cl)nc(C(F)(F)F)cc2n(C)c1=O
InChIInChI=1S/C10H7ClF3N3O2/c1-16-4-3-5(10(12,13)14)15-7(11)6(4)8(18)17(2)9(16)19/h3H,1-2H3
InChIKeyDTBFDKDRSDYEKC-UHFFFAOYSA-N
MW293.63 g/mol
LogP1.30
Rot. Bonds

About 5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione

5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 177214383) has the molecular formula C10H7ClF3N3O2 and a molecular weight of 293.63 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID177214383
Molecular FormulaC10H7ClF3N3O2
Molecular Weight293.63 g/mol
Exact Mass293.02
IUPAC Name5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Cl)nc(C(F)(F)F)cc2n(C)c1=O
InChIInChI=1S/C10H7ClF3N3O2/c1-16-4-3-5(10(12,13)14)15-7(11)6(4)8(18)17(2)9(16)19/h3H,1-2H3
InChIKeyDTBFDKDRSDYEKC-UHFFFAOYSA-N
XLogP1.30
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.63
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione (CID 177214383) is 5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(Cl)nc(C(F)(F)F)cc2n(C)c1=O.
What is the InChIKey of 5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is DTBFDKDRSDYEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3O2/c1-16-4-3-5(10(12,13)14)15-7(11)6(4)8(18)17(2)9(16)19/h3H,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione?
5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 293.63 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 177214383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).