4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine

C12H12F2N4O — CID 122281805

IUPAC4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(OC(F)F)c2)ncn1
InChIInChI=1S/C12H12F2N4O/c1-15-10-6-11(17-7-16-10)18-8-3-2-4-9(5-8)19-12(13)14/h2-7,12H,1H3,(H2,15,16,17,18)
InChIKeyAEKPRROOZZDFEM-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.86
Rot. Bonds5

About 4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine

4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 122281805) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID122281805
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(OC(F)F)c2)ncn1
InChIInChI=1S/C12H12F2N4O/c1-15-10-6-11(17-7-16-10)18-8-3-2-4-9(5-8)19-12(13)14/h2-7,12H,1H3,(H2,15,16,17,18)
InChIKeyAEKPRROOZZDFEM-UHFFFAOYSA-N
XLogP2.86
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
CID 113305699
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866173
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193145
2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol
CID 53259803
N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine
CID 165433989
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521
6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282177
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine (CID 122281805) is 4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2cccc(OC(F)F)c2)ncn1.
What is the InChIKey of 4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is AEKPRROOZZDFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-15-10-6-11(17-7-16-10)18-8-3-2-4-9(5-8)19-12(13)14/h2-7,12H,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 266.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 122281805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).