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

C16H9F6N3O2 — CID 2423874

IUPAC1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12
InChIInChI=1S/C16H9F6N3O2/c17-15(18,19)9-6-10(16(20,21)22)23-12-11(9)13(26)24-14(27)25(12)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,24,26,27)
InChIKeyMYZJSKTZBZCUPN-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.17
Rot. Bonds2

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

1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2423874) has the molecular formula C16H9F6N3O2 and a molecular weight of 389.26 g/mol. Its IUPAC name is 1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2423874
Molecular FormulaC16H9F6N3O2
Molecular Weight389.26 g/mol
Exact Mass389.06
IUPAC Name1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12
InChIInChI=1S/C16H9F6N3O2/c17-15(18,19)9-6-10(16(20,21)22)23-12-11(9)13(26)24-14(27)25(12)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,24,26,27)
InChIKeyMYZJSKTZBZCUPN-UHFFFAOYSA-N
XLogP3.17
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2423874) is 1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12.
What is the InChIKey of 1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MYZJSKTZBZCUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N3O2/c17-15(18,19)9-6-10(16(20,21)22)23-12-11(9)13(26)24-14(27)25(12)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,24,26,27).
What are the key properties of 1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 389.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2423874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).