5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine

C19H18F2N6O — CID 164570334

IUPAC5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESO=NCc1ccnc2c(F)cc(-c3nc(NC4CCNCC4)ncc3F)cc12
InChIInChI=1S/C19H18F2N6O/c20-15-8-12(7-14-11(9-25-28)1-6-23-18(14)15)17-16(21)10-24-19(27-17)26-13-2-4-22-5-3-13/h1,6-8,10,13,22H,2-5,9H2,(H,24,26,27)
InChIKeyICWJTEGMURDWAA-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.40
Rot. Bonds5

About 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine

5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 164570334) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID164570334
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESO=NCc1ccnc2c(F)cc(-c3nc(NC4CCNCC4)ncc3F)cc12
InChIInChI=1S/C19H18F2N6O/c20-15-8-12(7-14-11(9-25-28)1-6-23-18(14)15)17-16(21)10-24-19(27-17)26-13-2-4-22-5-3-13/h1,6-8,10,13,22H,2-5,9H2,(H,24,26,27)
InChIKeyICWJTEGMURDWAA-UHFFFAOYSA-N
XLogP3.40
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine 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-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
CID 164570396
8-fluoro-6-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]quinoline-4-carboxylic acid
CID 164570492
5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine
CID 164570419
5-fluoro-4-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-N-piperidin-4-ylpyrimidin-2-amine
CID 172592365
4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175753471
5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine
CID 167163320
5-fluoro-4-(7-phenylimidazo[1,2-a]pyridin-3-yl)-N-piperidin-4-ylpyrimidin-2-amine
CID 135289915
2-[6-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-8-fluoro-2-methylquinolin-4-yl]propan-2-ol
CID 164570350
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 172591502
4-N-[5-fluoro-4-(3-phenylphenyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 172590735
1-[4-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]-2-pyridinyl]pyrrolidin-2-one
CID 172590166

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine (CID 164570334) is 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine is O=NCc1ccnc2c(F)cc(-c3nc(NC4CCNCC4)ncc3F)cc12.
What is the InChIKey of 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is ICWJTEGMURDWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c20-15-8-12(7-14-11(9-25-28)1-6-23-18(14)15)17-16(21)10-24-19(27-17)26-13-2-4-22-5-3-13/h1,6-8,10,13,22H,2-5,9H2,(H,24,26,27).
What are the key properties of 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine?
5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 384.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 164570334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).