2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole

C14H15F3N4O — CID 24913614

IUPAC2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCc3nc(C(F)(F)F)ncc3C2)c(C)o1
InChIInChI=1S/C14H15F3N4O/c1-8-12(19-9(2)22-8)7-21-4-3-11-10(6-21)5-18-13(20-11)14(15,16)17/h5H,3-4,6-7H2,1-2H3
InChIKeyGCSPEALHGZUXNS-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.66
Rot. Bonds2

About 2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole

2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole (PubChem CID 24913614) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
PubChem CID24913614
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCc3nc(C(F)(F)F)ncc3C2)c(C)o1
InChIInChI=1S/C14H15F3N4O/c1-8-12(19-9(2)22-8)7-21-4-3-11-10(6-21)5-18-13(20-11)14(15,16)17/h5H,3-4,6-7H2,1-2H3
InChIKeyGCSPEALHGZUXNS-UHFFFAOYSA-N
XLogP2.66
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole (CID 24913614) is 2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole is Cc1nc(CN2CCc3nc(C(F)(F)F)ncc3C2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
The InChIKey is GCSPEALHGZUXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-8-12(19-9(2)22-8)7-21-4-3-11-10(6-21)5-18-13(20-11)14(15,16)17/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole has a molecular weight of 312.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 24913614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).