1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

C10H8F3N3O3 — CID 11184929

IUPAC1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(C(F)(F)F)cc(=O)[nH]c2n(C)c1=O
InChIInChI=1S/C10H8F3N3O3/c1-15-7-6(8(18)16(2)9(15)19)4(10(11,12)13)3-5(17)14-7/h3H,1-2H3,(H,14,17)
InChIKeyILNSRYGZGNSKOX-UHFFFAOYSA-N
MW275.19 g/mol
LogP-0.06
Rot. Bonds

About 1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 11184929) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is 1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID11184929
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Name1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(C(F)(F)F)cc(=O)[nH]c2n(C)c1=O
InChIInChI=1S/C10H8F3N3O3/c1-15-7-6(8(18)16(2)9(15)19)4(10(11,12)13)3-5(17)14-7/h3H,1-2H3,(H,14,17)
InChIKeyILNSRYGZGNSKOX-UHFFFAOYSA-N
XLogP-0.06
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 11184929) is 1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(C(F)(F)F)cc(=O)[nH]c2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is ILNSRYGZGNSKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-15-7-6(8(18)16(2)9(15)19)4(10(11,12)13)3-5(17)14-7/h3H,1-2H3,(H,14,17).
What are the key properties of 1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 275.19 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 11184929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).