4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine

C16H18F3N3O2 — CID 163652151

IUPAC4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
SMILESCC(C)Oc1nc(-c2ccncc2)nc(OC(C)C)c1C(F)(F)F
InChIInChI=1S/C16H18F3N3O2/c1-9(2)23-14-12(16(17,18)19)15(24-10(3)4)22-13(21-14)11-5-7-20-8-6-11/h5-10H,1-4H3
InChIKeyINCCMPVUEIYUHJ-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.13
Rot. Bonds5

About 4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine

4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 163652151) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
PubChem CID163652151
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
SMILESCC(C)Oc1nc(-c2ccncc2)nc(OC(C)C)c1C(F)(F)F
InChIInChI=1S/C16H18F3N3O2/c1-9(2)23-14-12(16(17,18)19)15(24-10(3)4)22-13(21-14)11-5-7-20-8-6-11/h5-10H,1-4H3
InChIKeyINCCMPVUEIYUHJ-UHFFFAOYSA-N
XLogP4.13
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine (CID 163652151) is 4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine is CC(C)Oc1nc(-c2ccncc2)nc(OC(C)C)c1C(F)(F)F.
What is the InChIKey of 4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is INCCMPVUEIYUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-9(2)23-14-12(16(17,18)19)15(24-10(3)4)22-13(21-14)11-5-7-20-8-6-11/h5-10H,1-4H3.
What are the key properties of 4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 341.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(propan-2-yloxy)-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 163652151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).