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

C11H7F6N3O2 — CID 4854648

IUPAC1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(C(F)(F)F)nc21
InChIInChI=1S/C11H7F6N3O2/c1-2-20-7-6(8(21)19-9(20)22)4(10(12,13)14)3-5(18-7)11(15,16)17/h3H,2H2,1H3,(H,19,21,22)
InChIKeyYYJZUEIZIXLBKB-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.14
Rot. Bonds1

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

1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 4854648) has the molecular formula C11H7F6N3O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID4854648
Molecular FormulaC11H7F6N3O2
Molecular Weight327.18 g/mol
Exact Mass327.04
IUPAC Name1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(C(F)(F)F)nc21
InChIInChI=1S/C11H7F6N3O2/c1-2-20-7-6(8(21)19-9(20)22)4(10(12,13)14)3-5(18-7)11(15,16)17/h3H,2H2,1H3,(H,19,21,22)
InChIKeyYYJZUEIZIXLBKB-UHFFFAOYSA-N
XLogP2.14
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 4854648) is 1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(C(F)(F)F)nc21.
What is the InChIKey of 1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YYJZUEIZIXLBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6N3O2/c1-2-20-7-6(8(21)19-9(20)22)4(10(12,13)14)3-5(18-7)11(15,16)17/h3H,2H2,1H3,(H,19,21,22).
What are the key properties of 1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 327.18 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4854648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).