4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine

C14H16BrFN4 — CID 80993652

IUPAC4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C14H16BrFN4/c1-3-4-12-19-13(17)8(2)14(20-12)18-11-7-9(15)5-6-10(11)16/h5-7H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyWEVNMHKIGSTKDJ-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.96
Rot. Bonds4

About 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80993652) has the molecular formula C14H16BrFN4 and a molecular weight of 339.21 g/mol. Its IUPAC name is 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80993652
Molecular FormulaC14H16BrFN4
Molecular Weight339.21 g/mol
Exact Mass338.05
IUPAC Name4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C14H16BrFN4/c1-3-4-12-19-13(17)8(2)14(20-12)18-11-7-9(15)5-6-10(11)16/h5-7H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyWEVNMHKIGSTKDJ-UHFFFAOYSA-N
XLogP3.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-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-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 102855436
4-N-(5-bromo-2-fluorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80986442
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992
4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995143
4-N-[2-(methoxymethyl)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80986562
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80991950
N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80994887
4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80977407
4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 82758799

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine (CID 80993652) is 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(Nc2cc(Br)ccc2F)n1.
What is the InChIKey of 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is WEVNMHKIGSTKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4/c1-3-4-12-19-13(17)8(2)14(20-12)18-11-7-9(15)5-6-10(11)16/h5-7H,3-4H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 339.21 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80993652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).