2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine

C32H36F3N5O2 — CID 126724080

IUPAC2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine
SMILESCOc1cncc(C(C)CCC(CC(c2ccc(C)nc2)C(C)c2ccc(C(F)(F)F)nc2)c2cnc(OC)nc2)c1
InChIInChI=1S/C32H36F3N5O2/c1-20(26-12-28(41-4)19-36-14-26)6-8-23(27-17-39-31(42-5)40-18-27)13-29(25-9-7-21(2)37-16-25)22(3)24-10-11-30(38-15-24)32(33,34)35/h7,9-12,14-20,22-23,29H,6,8,13H2,1-5H3
InChIKeyMTEYRFDBORSFKK-UHFFFAOYSA-N
MW579.67 g/mol
LogP7.65
Rot. Bonds12

About 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine

2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine (PubChem CID 126724080) has the molecular formula C32H36F3N5O2 and a molecular weight of 579.67 g/mol. Its IUPAC name is 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine
PubChem CID126724080
Molecular FormulaC32H36F3N5O2
Molecular Weight579.67 g/mol
Exact Mass579.28
IUPAC Name2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine
SMILESCOc1cncc(C(C)CCC(CC(c2ccc(C)nc2)C(C)c2ccc(C(F)(F)F)nc2)c2cnc(OC)nc2)c1
InChIInChI=1S/C32H36F3N5O2/c1-20(26-12-28(41-4)19-36-14-26)6-8-23(27-17-39-31(42-5)40-18-27)13-29(25-9-7-21(2)37-16-25)22(3)24-10-11-30(38-15-24)32(33,34)35/h7,9-12,14-20,22-23,29H,6,8,13H2,1-5H3
InChIKeyMTEYRFDBORSFKK-UHFFFAOYSA-N
XLogP7.65
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.67
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine?
The IUPAC name of 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine (CID 126724080) is 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine is COc1cncc(C(C)CCC(CC(c2ccc(C)nc2)C(C)c2ccc(C(F)(F)F)nc2)c2cnc(OC)nc2)c1.
What is the InChIKey of 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine?
The InChIKey is MTEYRFDBORSFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N5O2/c1-20(26-12-28(41-4)19-36-14-26)6-8-23(27-17-39-31(42-5)40-18-27)13-29(25-9-7-21(2)37-16-25)22(3)24-10-11-30(38-15-24)32(33,34)35/h7,9-12,14-20,22-23,29H,6,8,13H2,1-5H3.
What are the key properties of 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine?
2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine has a molecular weight of 579.67 g/mol, XLogP of 7.65, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[8-(5-methoxy-3-pyridinyl)-3-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]nonan-5-yl]pyrimidine is sourced from PubChem (CID 126724080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).