4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine

C15H16F2N2O2 — CID 147457765

IUPAC4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine
SMILESCc1nc(OCc2ccccc2)cc(OCC(C)(F)F)n1
InChIInChI=1S/C15H16F2N2O2/c1-11-18-13(20-9-12-6-4-3-5-7-12)8-14(19-11)21-10-15(2,16)17/h3-8H,9-10H2,1-2H3
InChIKeyDZIDVHQXJVKTKF-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.40
Rot. Bonds6

About 4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine

4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine (PubChem CID 147457765) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine.

Molecular Properties

Compound Name4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine
PubChem CID147457765
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine
SMILESCc1nc(OCc2ccccc2)cc(OCC(C)(F)F)n1
InChIInChI=1S/C15H16F2N2O2/c1-11-18-13(20-9-12-6-4-3-5-7-12)8-14(19-11)21-10-15(2,16)17/h3-8H,9-10H2,1-2H3
InChIKeyDZIDVHQXJVKTKF-UHFFFAOYSA-N
XLogP3.40
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine?
The IUPAC name of 4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine (CID 147457765) is 4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine.
What is the SMILES notation for 4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine?
The canonical SMILES for 4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine is Cc1nc(OCc2ccccc2)cc(OCC(C)(F)F)n1.
What is the InChIKey of 4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine?
The InChIKey is DZIDVHQXJVKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-11-18-13(20-9-12-6-4-3-5-7-12)8-14(19-11)21-10-15(2,16)17/h3-8H,9-10H2,1-2H3.
What are the key properties of 4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine?
4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine has a molecular weight of 294.30 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropoxy)-2-methyl-6-phenylmethoxypyrimidine is sourced from PubChem (CID 147457765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).