4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine

C18H14F3N3O2 — CID 162358696

IUPAC4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccncc2)nc(OCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c1-25-16-14(18(19,20)21)17(26-11-12-5-3-2-4-6-12)24-15(23-16)13-7-9-22-10-8-13/h2-10H,11H2,1H3
InChIKeyFRPGSFIOHPRFKV-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.14
Rot. Bonds5

About 4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine

4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 162358696) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
PubChem CID162358696
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccncc2)nc(OCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c1-25-16-14(18(19,20)21)17(26-11-12-5-3-2-4-6-12)24-15(23-16)13-7-9-22-10-8-13/h2-10H,11H2,1H3
InChIKeyFRPGSFIOHPRFKV-UHFFFAOYSA-N
XLogP4.14
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine (CID 162358696) is 4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine is COc1nc(-c2ccncc2)nc(OCc2ccccc2)c1C(F)(F)F.
What is the InChIKey of 4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is FRPGSFIOHPRFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-25-16-14(18(19,20)21)17(26-11-12-5-3-2-4-6-12)24-15(23-16)13-7-9-22-10-8-13/h2-10H,11H2,1H3.
What are the key properties of 4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 361.32 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-phenylmethoxy-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 162358696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).