6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine

C16H19F2N3 — CID 107514561

IUPAC6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(C)c(F)c2F)nc(C(C)C)n1
InChIInChI=1S/C16H19F2N3/c1-5-19-13-8-12(20-16(21-13)9(2)3)11-7-6-10(4)14(17)15(11)18/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyAKCAKYYKXTXOPN-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.29
Rot. Bonds4

About 6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine

6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 107514561) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID107514561
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(C)c(F)c2F)nc(C(C)C)n1
InChIInChI=1S/C16H19F2N3/c1-5-19-13-8-12(20-16(21-13)9(2)3)11-7-6-10(4)14(17)15(11)18/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyAKCAKYYKXTXOPN-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine (CID 107514561) is 6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine is CCNc1cc(-c2ccc(C)c(F)c2F)nc(C(C)C)n1.
What is the InChIKey of 6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is AKCAKYYKXTXOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-5-19-13-8-12(20-16(21-13)9(2)3)11-7-6-10(4)14(17)15(11)18/h6-9H,5H2,1-4H3,(H,19,20,21).
What are the key properties of 6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107514561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).