6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C14H16F3N5 — CID 24915777

IUPAC6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc(CN2CCc3nc(C(F)(F)F)ncc3C2)n1C
InChIInChI=1S/C14H16F3N5/c1-9-18-6-11(21(9)2)8-22-4-3-12-10(7-22)5-19-13(20-12)14(15,16)17/h5-6H,3-4,7-8H2,1-2H3
InChIKeyAKERWQAPPKPJJO-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.10
Rot. Bonds2

About 6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915777) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24915777
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC Name6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc(CN2CCc3nc(C(F)(F)F)ncc3C2)n1C
InChIInChI=1S/C14H16F3N5/c1-9-18-6-11(21(9)2)8-22-4-3-12-10(7-22)5-19-13(20-12)14(15,16)17/h5-6H,3-4,7-8H2,1-2H3
InChIKeyAKERWQAPPKPJJO-UHFFFAOYSA-N
XLogP2.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915777) is 6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ncc(CN2CCc3nc(C(F)(F)F)ncc3C2)n1C.
What is the InChIKey of 6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is AKERWQAPPKPJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c1-9-18-6-11(21(9)2)8-22-4-3-12-10(7-22)5-19-13(20-12)14(15,16)17/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 311.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethylimidazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).