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

C16H19F2N3 — CID 82804327

IUPAC6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2c(F)ccc(C)c2F)n1
InChIInChI=1S/C16H19F2N3/c1-4-6-13-20-12(9-14(21-13)19-5-2)15-11(17)8-7-10(3)16(15)18/h7-9H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyDTYMEEUWLYJHFU-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.11
Rot. Bonds5

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

6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine (PubChem CID 82804327) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine
PubChem CID82804327
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2c(F)ccc(C)c2F)n1
InChIInChI=1S/C16H19F2N3/c1-4-6-13-20-12(9-14(21-13)19-5-2)15-11(17)8-7-10(3)16(15)18/h7-9H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyDTYMEEUWLYJHFU-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine (CID 82804327) is 6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(-c2c(F)ccc(C)c2F)n1.
What is the InChIKey of 6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine?
The InChIKey is DTYMEEUWLYJHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-4-6-13-20-12(9-14(21-13)19-5-2)15-11(17)8-7-10(3)16(15)18/h7-9H,4-6H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine?
6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82804327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).