4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine

C19H15FN6 — CID 168893274

IUPAC4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine
SMILES[H]/N=c1\nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3c2)c(N)n1N
InChIInChI=1S/C19H15FN6/c20-14-6-3-11(4-7-14)17-16(18(21)26(23)19(22)25-17)13-5-8-15-12(10-13)2-1-9-24-15/h1-10,22H,21,23H2/b22-19+
InChIKeyKQFIBLIXCNUFDM-ZBJSNUHESA-N
MW346.37 g/mol
LogP2.68
Rot. Bonds2

About 4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine

4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine (PubChem CID 168893274) has the molecular formula C19H15FN6 and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine
PubChem CID168893274
Molecular FormulaC19H15FN6
Molecular Weight346.37 g/mol
Exact Mass346.13
IUPAC Name4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine
SMILES[H]/N=c1\nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3c2)c(N)n1N
InChIInChI=1S/C19H15FN6/c20-14-6-3-11(4-7-14)17-16(18(21)26(23)19(22)25-17)13-5-8-15-12(10-13)2-1-9-24-15/h1-10,22H,21,23H2/b22-19+
InChIKeyKQFIBLIXCNUFDM-ZBJSNUHESA-N
XLogP2.68
TPSA106.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-fluorophenyl)-8-quinolin-6-ylpyrido[3,4-b]pyrazin-5-amine
CID 146801526
2-propan-2-yl-4-quinolin-6-ylimidazole-1,5-diamine
CID 63970356
2-fluoro-6-quinolin-6-ylaniline
CID 107602869
2-cyclopropyl-3-methyl-5-quinolin-6-ylimidazol-4-amine
CID 63968686
7-(4-fluorophenyl)-8-quinoxalin-6-ylpyrido[3,4-b]pyrazin-5-amine
CID 152831094
[(4-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105192827
5-fluoro-2-quinolin-6-ylbenzoic acid
CID 81224039
6-(1H-azirin-2-yl)quinoline
CID 146540612
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline
CID 122510407
5-fluoro-2-quinolin-7-ylaniline
CID 107626733
4-methyl-3-quinolin-6-ylaniline
CID 81224667

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine?
The IUPAC name of 4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine (CID 168893274) is 4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine?
The canonical SMILES for 4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine is [H]/N=c1\nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3c2)c(N)n1N.
What is the InChIKey of 4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine?
The InChIKey is KQFIBLIXCNUFDM-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H15FN6/c20-14-6-3-11(4-7-14)17-16(18(21)26(23)19(22)25-17)13-5-8-15-12(10-13)2-1-9-24-15/h1-10,22H,21,23H2/b22-19+.
What are the key properties of 4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine?
4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine has a molecular weight of 346.37 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-imino-5-quinolin-6-ylpyrimidine-1,6-diamine is sourced from PubChem (CID 168893274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).