4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine

C13H15F2N5O — CID 80729422

IUPAC4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2ccccc2OC(F)F)nc(N)n1
InChIInChI=1S/C13H15F2N5O/c1-2-17-10-7-11(20-13(16)19-10)18-8-5-3-4-6-9(8)21-12(14)15/h3-7,12H,2H2,1H3,(H4,16,17,18,19,20)
InChIKeyFZPSBXMJCDUIRK-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.84
Rot. Bonds6

About 4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine

4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80729422) has the molecular formula C13H15F2N5O and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80729422
Molecular FormulaC13H15F2N5O
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2ccccc2OC(F)F)nc(N)n1
InChIInChI=1S/C13H15F2N5O/c1-2-17-10-7-11(20-13(16)19-10)18-8-5-3-4-6-9(8)21-12(14)15/h3-7,12H,2H2,1H3,(H4,16,17,18,19,20)
InChIKeyFZPSBXMJCDUIRK-UHFFFAOYSA-N
XLogP2.84
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80797550
4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80926816
4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939464
N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine
CID 80916501
4-N-(4-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80801126
2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753951
6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
CID 80763447
2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
CID 79172716
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726
4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563643
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine
CID 113305662

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine (CID 80729422) is 4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(Nc2ccccc2OC(F)F)nc(N)n1.
What is the InChIKey of 4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is FZPSBXMJCDUIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O/c1-2-17-10-7-11(20-13(16)19-10)18-8-5-3-4-6-9(8)21-12(14)15/h3-7,12H,2H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 295.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80729422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).