4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C23H23F3N4O — CID 11247378

IUPAC4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)(C)c1ccc(Oc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1
InChIInChI=1S/C23H23F3N4O/c1-22(2,3)15-6-8-16(9-7-15)31-21-17-10-12-30(13-19(17)28-14-29-21)20-18(23(24,25)26)5-4-11-27-20/h4-9,11,14H,10,12-13H2,1-3H3
InChIKeyVBEUQYOCHBFCSS-UHFFFAOYSA-N
MW428.46 g/mol
LogP5.54
Rot. Bonds3

About 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 11247378) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID11247378
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)(C)c1ccc(Oc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1
InChIInChI=1S/C23H23F3N4O/c1-22(2,3)15-6-8-16(9-7-15)31-21-17-10-12-30(13-19(17)28-14-29-21)20-18(23(24,25)26)5-4-11-27-20/h4-9,11,14H,10,12-13H2,1-3H3
InChIKeyVBEUQYOCHBFCSS-UHFFFAOYSA-N
XLogP5.54
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

3-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 9976219
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10384316
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10406636
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10429017
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10429018
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
4-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10316875
6-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10361588
6-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 16748083
4-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 16748085
1-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 16748086

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 11247378) is 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)(C)c1ccc(Oc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is VBEUQYOCHBFCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c1-22(2,3)15-6-8-16(9-7-15)31-21-17-10-12-30(13-19(17)28-14-29-21)20-18(23(24,25)26)5-4-11-27-20/h4-9,11,14H,10,12-13H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 428.46 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 11247378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).