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

C13H15FN4 — CID 80976619

IUPAC2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2cccc(F)c2)n1
InChIInChI=1S/C13H15FN4/c1-3-11-17-12(15)8(2)13(18-11)16-10-6-4-5-9(14)7-10/h4-7H,3H2,1-2H3,(H3,15,16,17,18)
InChIKeyAZORFMCTEJPTEY-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.81
Rot. Bonds3

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

2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80976619) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80976619
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2cccc(F)c2)n1
InChIInChI=1S/C13H15FN4/c1-3-11-17-12(15)8(2)13(18-11)16-10-6-4-5-9(14)7-10/h4-7H,3H2,1-2H3,(H3,15,16,17,18)
InChIKeyAZORFMCTEJPTEY-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80977204
4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976447
4-N-[3-(dimethylamino)-4-methylphenyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 115379692
4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976908
2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80976892
4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80983059
6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981798
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 82758799
4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985293
2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine
CID 80992137

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine (CID 80976619) is 2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(Nc2cccc(F)c2)n1.
What is the InChIKey of 2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is AZORFMCTEJPTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-3-11-17-12(15)8(2)13(18-11)16-10-6-4-5-9(14)7-10/h4-7H,3H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80976619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).