4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

C14H16FIN4 — CID 80949746

IUPAC4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2ccc(F)cc2I)n1
InChIInChI=1S/C14H16FIN4/c1-3-4-12-19-13(17-2)8-14(20-12)18-11-6-5-9(15)7-10(11)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyGUESDUXPFKLZHC-UHFFFAOYSA-N
MW386.21 g/mol
LogP3.96
Rot. Bonds5

About 4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80949746) has the molecular formula C14H16FIN4 and a molecular weight of 386.21 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80949746
Molecular FormulaC14H16FIN4
Molecular Weight386.21 g/mol
Exact Mass386.04
IUPAC Name4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2ccc(F)cc2I)n1
InChIInChI=1S/C14H16FIN4/c1-3-4-12-19-13(17-2)8-14(20-12)18-11-6-5-9(15)7-10(11)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyGUESDUXPFKLZHC-UHFFFAOYSA-N
XLogP3.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80939622
4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80849441
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
2-N-ethyl-6-N-(4-fluoro-2-iodophenyl)pyridine-2,6-diamine
CID 80849440
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819
4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 106761041
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 82758688
4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954383
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80949638

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80949746) is 4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(Nc2ccc(F)cc2I)n1.
What is the InChIKey of 4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is GUESDUXPFKLZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FIN4/c1-3-4-12-19-13(17-2)8-14(20-12)18-11-6-5-9(15)7-10(11)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 386.21 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80949746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).