4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine

C13H14ClFN4 — CID 80933034

IUPAC4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C13H14ClFN4/c1-3-11-18-12(16-2)7-13(19-11)17-10-6-8(14)4-5-9(10)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyKYJGLDYOMFBSEN-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.62
Rot. Bonds4

About 4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80933034) has the molecular formula C13H14ClFN4 and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80933034
Molecular FormulaC13H14ClFN4
Molecular Weight280.73 g/mol
Exact Mass280.09
IUPAC Name4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C13H14ClFN4/c1-3-11-18-12(16-2)7-13(19-11)17-10-6-8(14)4-5-9(10)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyKYJGLDYOMFBSEN-UHFFFAOYSA-N
XLogP3.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 81272386
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934192
2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80933910
2-tert-butyl-4-N-(5-chloro-2-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80960482
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256620

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80933034) is 4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1nc(NC)cc(Nc2cc(Cl)ccc2F)n1.
What is the InChIKey of 4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is KYJGLDYOMFBSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4/c1-3-11-18-12(16-2)7-13(19-11)17-10-6-8(14)4-5-9(10)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 280.73 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80933034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).