2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine

C14H15F2N3O — CID 62203120

IUPAC2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cc(NC)nc(-c2ccccc2OC(F)F)n1
InChIInChI=1S/C14H15F2N3O/c1-3-9-8-12(17-2)19-13(18-9)10-6-4-5-7-11(10)20-14(15)16/h4-8,14H,3H2,1-2H3,(H,17,18,19)
InChIKeyYVISRHGBDIKXLA-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.35
Rot. Bonds5

About 2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine

2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 62203120) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID62203120
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cc(NC)nc(-c2ccccc2OC(F)F)n1
InChIInChI=1S/C14H15F2N3O/c1-3-9-8-12(17-2)19-13(18-9)10-6-4-5-7-11(10)20-14(15)16/h4-8,14H,3H2,1-2H3,(H,17,18,19)
InChIKeyYVISRHGBDIKXLA-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704
4-[4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2989573
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330923
5-(Aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236557
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3233294

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine (CID 62203120) is 2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine is CCc1cc(NC)nc(-c2ccccc2OC(F)F)n1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is YVISRHGBDIKXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-9-8-12(17-2)19-13(18-9)10-6-4-5-7-11(10)20-14(15)16/h4-8,14H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62203120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).