4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine

C19H20F3N3O3 — CID 31537150

IUPAC4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine
SMILESCOc1cc(OC)c(C2=CCN(c3nccc(C(F)(F)F)n3)CC2)c(OC)c1
InChIInChI=1S/C19H20F3N3O3/c1-26-13-10-14(27-2)17(15(11-13)28-3)12-5-8-25(9-6-12)18-23-7-4-16(24-18)19(20,21)22/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyLWXNPNVFVQKLFE-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.81
Rot. Bonds5

About 4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine

4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine (PubChem CID 31537150) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine
PubChem CID31537150
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine
SMILESCOc1cc(OC)c(C2=CCN(c3nccc(C(F)(F)F)n3)CC2)c(OC)c1
InChIInChI=1S/C19H20F3N3O3/c1-26-13-10-14(27-2)17(15(11-13)28-3)12-5-8-25(9-6-12)18-23-7-4-16(24-18)19(20,21)22/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyLWXNPNVFVQKLFE-UHFFFAOYSA-N
XLogP3.81
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine?
The IUPAC name of 4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine (CID 31537150) is 4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine.
What is the SMILES notation for 4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine?
The canonical SMILES for 4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine is COc1cc(OC)c(C2=CCN(c3nccc(C(F)(F)F)n3)CC2)c(OC)c1.
What is the InChIKey of 4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine?
The InChIKey is LWXNPNVFVQKLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-26-13-10-14(27-2)17(15(11-13)28-3)12-5-8-25(9-6-12)18-23-7-4-16(24-18)19(20,21)22/h4-5,7,10-11H,6,8-9H2,1-3H3.
What are the key properties of 4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine?
4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine has a molecular weight of 395.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine is sourced from PubChem (CID 31537150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).