4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine

C15H16F2N2O2 — CID 159140025

IUPAC4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine
SMILESCc1c(OCc2ccccc2)ncnc1OCC(C)(F)F
InChIInChI=1S/C15H16F2N2O2/c1-11-13(20-8-12-6-4-3-5-7-12)18-10-19-14(11)21-9-15(2,16)17/h3-7,10H,8-9H2,1-2H3
InChIKeyKHZBXAWFYRYSBR-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.40
Rot. Bonds6

About 4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine

4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine (PubChem CID 159140025) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine.

Molecular Properties

Compound Name4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine
PubChem CID159140025
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine
SMILESCc1c(OCc2ccccc2)ncnc1OCC(C)(F)F
InChIInChI=1S/C15H16F2N2O2/c1-11-13(20-8-12-6-4-3-5-7-12)18-10-19-14(11)21-9-15(2,16)17/h3-7,10H,8-9H2,1-2H3
InChIKeyKHZBXAWFYRYSBR-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

Analyze 4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoropropoxybenzene
CID 10997493
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
4-chloro-3,5-dimethyl-2-phenylmethoxypyridine
CID 139821187
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
3-tert-butyl-2-phenylmethoxypyridine
CID 157173376
4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine
CID 65126013
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733
6-methoxy-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66327861
3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 162617775
4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine
CID 11253095
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine?
The IUPAC name of 4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine (CID 159140025) is 4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine.
What is the SMILES notation for 4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine?
The canonical SMILES for 4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine is Cc1c(OCc2ccccc2)ncnc1OCC(C)(F)F.
What is the InChIKey of 4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine?
The InChIKey is KHZBXAWFYRYSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-11-13(20-8-12-6-4-3-5-7-12)18-10-19-14(11)21-9-15(2,16)17/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 4-(2,2-difluoropropoxy)-5-methyl-6-phenylmethoxypyrimidine?
4-(2,2-difluoropropoxy)-5-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)-5-methyl-6-phenylmethoxypyrimidine is sourced from PubChem (CID 159140025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).