6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine

C14H15F2N3O — CID 154882785

IUPAC6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCCOc1ccccc1Nc1cc(C(F)F)nc(C)n1
InChIInChI=1S/C14H15F2N3O/c1-3-20-12-7-5-4-6-10(12)19-13-8-11(14(15)16)17-9(2)18-13/h4-8,14H,3H2,1-2H3,(H,17,18,19)
InChIKeyQDHIZWNLDIXXBC-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.86
Rot. Bonds5

About 6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine

6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine (PubChem CID 154882785) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
PubChem CID154882785
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCCOc1ccccc1Nc1cc(C(F)F)nc(C)n1
InChIInChI=1S/C14H15F2N3O/c1-3-20-12-7-5-4-6-10(12)19-13-8-11(14(15)16)17-9(2)18-13/h4-8,14H,3H2,1-2H3,(H,17,18,19)
InChIKeyQDHIZWNLDIXXBC-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878475
6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 154882758
6-(difluoromethyl)-N-(4-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882784
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
methyl 2-[[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878454
N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868907
4-N-(2-ethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872848
6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine
CID 154882747
4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112875858
6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 154882766
4-N-(2-ethoxyphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907340
6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878464

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine (CID 154882785) is 6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine is CCOc1ccccc1Nc1cc(C(F)F)nc(C)n1.
What is the InChIKey of 6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is QDHIZWNLDIXXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-20-12-7-5-4-6-10(12)19-13-8-11(14(15)16)17-9(2)18-13/h4-8,14H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine?
6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 154882785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).