4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

C13H14F2N4 — CID 80798019

IUPAC4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1cccc(F)c1F
InChIInChI=1S/C13H14F2N4/c1-3-8-12(16-2)17-7-18-13(8)19-10-6-4-5-9(14)11(10)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyJLZJIIZJGRQAQA-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.10
Rot. Bonds4

About 4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80798019) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80798019
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1cccc(F)c1F
InChIInChI=1S/C13H14F2N4/c1-3-8-12(16-2)17-7-18-13(8)19-10-6-4-5-9(14)11(10)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyJLZJIIZJGRQAQA-UHFFFAOYSA-N
XLogP3.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80798019) is 4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1Nc1cccc(F)c1F.
What is the InChIKey of 4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is JLZJIIZJGRQAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-3-8-12(16-2)17-7-18-13(8)19-10-6-4-5-9(14)11(10)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 264.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80798019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).