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

C9H6F3N3O2 — CID 11195933

IUPAC1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C9H6F3N3O2/c1-15-6-4(7(16)14-8(15)17)2-3-5(13-6)9(10,11)12/h2-3H,1H3,(H,14,16,17)
InChIKeyXMZKZQWDROKDEO-UHFFFAOYSA-N
MW245.16 g/mol
LogP0.64
Rot. Bonds

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

1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11195933) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11195933
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C9H6F3N3O2/c1-15-6-4(7(16)14-8(15)17)2-3-5(13-6)9(10,11)12/h2-3H,1H3,(H,14,16,17)
InChIKeyXMZKZQWDROKDEO-UHFFFAOYSA-N
XLogP0.64
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 11195933) is 1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XMZKZQWDROKDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c1-15-6-4(7(16)14-8(15)17)2-3-5(13-6)9(10,11)12/h2-3H,1H3,(H,14,16,17).
What are the key properties of 1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 245.16 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11195933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).