4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine

C19H17F3N4O — CID 3547931

IUPAC4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine
SMILESCc1cc(C)nc(OC(Cc2ccncn2)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H17F3N4O/c1-12-9-13(2)26-18(25-12)27-17(10-16-7-8-23-11-24-16)14-3-5-15(6-4-14)19(20,21)22/h3-9,11,17H,10H2,1-2H3
InChIKeyRNQHDRNABNKMMP-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.27
Rot. Bonds5

About 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine

4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine (PubChem CID 3547931) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine
PubChem CID3547931
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine
SMILESCc1cc(C)nc(OC(Cc2ccncn2)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H17F3N4O/c1-12-9-13(2)26-18(25-12)27-17(10-16-7-8-23-11-24-16)14-3-5-15(6-4-14)19(20,21)22/h3-9,11,17H,10H2,1-2H3
InChIKeyRNQHDRNABNKMMP-UHFFFAOYSA-N
XLogP4.27
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(16E)-14-methyl-19-oxa-5,7,14,23,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739951
(16E)-14,19-dioxa-5,7,23,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16750331
5-[2-Morpholin-4-yl-6-(2-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 59507730
N-[4-[(2R)-morpholin-2-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 68325548
5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325698
5-[4-Cyclobutyl-3-(4,6-dimethylpyrimidin-2-yl)oxy-2-fluorophenyl]pyrimidin-2-amine
CID 77844445
5-[4-Cyclobutyl-2-fluoro-3-(4-propan-2-ylpyrimidin-2-yl)oxyphenyl]pyrimidin-2-amine
CID 77844448
5-[4-Cyclobutyl-2-fluoro-3-(4-methylpyrimidin-2-yl)oxyphenyl]pyrimidin-2-amine
CID 77844509
5-{2-Fluoro-4-[2-(1-methylethoxy)pyridin-3-yl]phenyl}pyrimidin-2-amine
CID 90312795
US10246432, Example 24
CID 117821283
2-[4-(Pyridin-3-ylmethoxy)piperidin-1-YL]-4-(trifluoromethyl)pyrimidine
CID 72918449
2-(Pyridin-3-ylmethoxy)-4-(trifluoromethyl)pyrimidine
CID 172433428

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine (CID 3547931) is 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine is Cc1cc(C)nc(OC(Cc2ccncn2)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine?
The InChIKey is RNQHDRNABNKMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-9-13(2)26-18(25-12)27-17(10-16-7-8-23-11-24-16)14-3-5-15(6-4-14)19(20,21)22/h3-9,11,17H,10H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine?
4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine has a molecular weight of 374.37 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-pyrimidin-4-yl-1-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidine is sourced from PubChem (CID 3547931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).