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

C14H16F3N3O2 — CID 2125468

IUPAC1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(C)nc21
InChIInChI=1S/C14H16F3N3O2/c1-4-5-6-20-11-10(12(21)19(3)13(20)22)9(14(15,16)17)7-8(2)18-11/h7H,4-6H2,1-3H3
InChIKeyPXUWNSOVAIQNLW-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.22
Rot. Bonds3

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

1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2125468) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2125468
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(C)nc21
InChIInChI=1S/C14H16F3N3O2/c1-4-5-6-20-11-10(12(21)19(3)13(20)22)9(14(15,16)17)7-8(2)18-11/h7H,4-6H2,1-3H3
InChIKeyPXUWNSOVAIQNLW-UHFFFAOYSA-N
XLogP2.22
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2125468) is 1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(C)nc21.
What is the InChIKey of 1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PXUWNSOVAIQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-4-5-6-20-11-10(12(21)19(3)13(20)22)9(14(15,16)17)7-8(2)18-11/h7H,4-6H2,1-3H3.
What are the key properties of 1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 315.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2125468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).