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

C17H13F3N4O2 — CID 178173674

IUPAC4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cncnc2)nc(OCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H13F3N4O2/c1-25-15-13(17(18,19)20)16(26-9-11-5-3-2-4-6-11)24-14(23-15)12-7-21-10-22-8-12/h2-8,10H,9H2,1H3
InChIKeyKUDZKWHFGGHCTI-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.54
Rot. Bonds5

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

4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 178173674) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
PubChem CID178173674
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cncnc2)nc(OCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H13F3N4O2/c1-25-15-13(17(18,19)20)16(26-9-11-5-3-2-4-6-11)24-14(23-15)12-7-21-10-22-8-12/h2-8,10H,9H2,1H3
InChIKeyKUDZKWHFGGHCTI-UHFFFAOYSA-N
XLogP3.54
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
CID 178173695
methyl 5-[4-methoxy-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-carboxylate
CID 178173704
4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine
CID 163460917
4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine
CID 175581577
methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 118023691
4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine
CID 178173710
5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine
CID 67127321
3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 162617775
4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine
CID 159140025
6-methoxy-N-propyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-4-amine
CID 162358652
2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde
CID 171037619
2-phenyl-5-phenylmethoxypyrimidine
CID 151774114

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine (CID 178173674) is 4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine is COc1nc(-c2cncnc2)nc(OCc2ccccc2)c1C(F)(F)F.
What is the InChIKey of 4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is KUDZKWHFGGHCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-25-15-13(17(18,19)20)16(26-9-11-5-3-2-4-6-11)24-14(23-15)12-7-21-10-22-8-12/h2-8,10H,9H2,1H3.
What are the key properties of 4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine?
4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 362.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 178173674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).