5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine

C16H13F3N4O — CID 175943641

IUPAC5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCc1ncc(C2=CCN=CC2)c(Oc2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C16H13F3N4O/c1-10-21-9-13(11-4-6-20-7-5-11)15(23-10)24-12-2-3-14(22-8-12)16(17,18)19/h2-4,7-9H,5-6H2,1H3
InChIKeyPGFWCMDUJBGPME-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.85
Rot. Bonds3

About 5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine

5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine (PubChem CID 175943641) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine.

Molecular Properties

Compound Name5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
PubChem CID175943641
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCc1ncc(C2=CCN=CC2)c(Oc2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C16H13F3N4O/c1-10-21-9-13(11-4-6-20-7-5-11)15(23-10)24-12-2-3-14(22-8-12)16(17,18)19/h2-4,7-9H,5-6H2,1H3
InChIKeyPGFWCMDUJBGPME-UHFFFAOYSA-N
XLogP3.85
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The IUPAC name of 5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine (CID 175943641) is 5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine.
What is the SMILES notation for 5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The canonical SMILES for 5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine is Cc1ncc(C2=CCN=CC2)c(Oc2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of 5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The InChIKey is PGFWCMDUJBGPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-10-21-9-13(11-4-6-20-7-5-11)15(23-10)24-12-2-3-14(22-8-12)16(17,18)19/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine has a molecular weight of 334.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine is sourced from PubChem (CID 175943641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).