4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine

C12H11ClF2N4 — CID 83082644

IUPAC4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H11ClF2N4/c1-2-7-11(16)17-5-18-12(7)19-10-8(13)3-6(14)4-9(10)15/h3-5H,2H2,1H3,(H3,16,17,18,19)
InChIKeyCLLYIZGGIRRJQA-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.30
Rot. Bonds3

About 4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine

4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 83082644) has the molecular formula C12H11ClF2N4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID83082644
Molecular FormulaC12H11ClF2N4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H11ClF2N4/c1-2-7-11(16)17-5-18-12(7)19-10-8(13)3-6(14)4-9(10)15/h3-5H,2H2,1H3,(H3,16,17,18,19)
InChIKeyCLLYIZGGIRRJQA-UHFFFAOYSA-N
XLogP3.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine (CID 83082644) is 4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is CLLYIZGGIRRJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4/c1-2-7-11(16)17-5-18-12(7)19-10-8(13)3-6(14)4-9(10)15/h3-5H,2H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 284.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 83082644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).