4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine

C11H9F3N4O2 — CID 178173695

IUPAC4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cncnc2)nc(OC)c1C(F)(F)F
InChIInChI=1S/C11H9F3N4O2/c1-19-9-7(11(12,13)14)10(20-2)18-8(17-9)6-3-15-5-16-4-6/h3-5H,1-2H3
InChIKeyKLYMDNDSSVALBY-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.97
Rot. Bonds3

About 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine

4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 178173695) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
PubChem CID178173695
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cncnc2)nc(OC)c1C(F)(F)F
InChIInChI=1S/C11H9F3N4O2/c1-19-9-7(11(12,13)14)10(20-2)18-8(17-9)6-3-15-5-16-4-6/h3-5H,1-2H3
InChIKeyKLYMDNDSSVALBY-UHFFFAOYSA-N
XLogP1.97
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)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 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine (CID 178173695) is 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine is COc1nc(-c2cncnc2)nc(OC)c1C(F)(F)F.
What is the InChIKey of 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is KLYMDNDSSVALBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-19-9-7(11(12,13)14)10(20-2)18-8(17-9)6-3-15-5-16-4-6/h3-5H,1-2H3.
What are the key properties of 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine?
4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 286.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 178173695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).