5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine

C19H19F2N5S — CID 167163320

IUPAC5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine
SMILESCSN1CCCC(Nc2ncc(F)c(-c3cc(F)c4ncccc4c3)n2)C1
InChIInChI=1S/C19H19F2N5S/c1-27-26-7-3-5-14(11-26)24-19-23-10-16(21)18(25-19)13-8-12-4-2-6-22-17(12)15(20)9-13/h2,4,6,8-10,14H,3,5,7,11H2,1H3,(H,23,24,25)
InChIKeyBSXWLRIXDIGQAG-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.12
Rot. Bonds4

About 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine

5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine (PubChem CID 167163320) has the molecular formula C19H19F2N5S and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine
PubChem CID167163320
Molecular FormulaC19H19F2N5S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine
SMILESCSN1CCCC(Nc2ncc(F)c(-c3cc(F)c4ncccc4c3)n2)C1
InChIInChI=1S/C19H19F2N5S/c1-27-26-7-3-5-14(11-26)24-19-23-10-16(21)18(25-19)13-8-12-4-2-6-22-17(12)15(20)9-13/h2,4,6,8-10,14H,3,5,7,11H2,1H3,(H,23,24,25)
InChIKeyBSXWLRIXDIGQAG-UHFFFAOYSA-N
XLogP4.12
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-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

5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine
CID 164570419
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
CID 163381263
(3S,4S)-4-[[5-chloro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]oxolan-3-ol
CID 171660695
8-fluoro-6-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]quinoline-4-carboxylic acid
CID 164570492
4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
CID 163381356
4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
CID 164570396
5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine
CID 164570334
N-[1-[1-(azetidin-3-yl)piperidin-4-yl]sulfinylpiperidin-4-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 170376433
4-N-[4-(3-cyclopropylphenyl)-5-fluoropyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 172590151
N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine
CID 170740161
4-N-[5-fluoro-4-(3-phenylphenyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 172590735
2-[6-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-8-fluoro-2-methylquinolin-4-yl]propan-2-ol
CID 164570350

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine (CID 167163320) is 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine is CSN1CCCC(Nc2ncc(F)c(-c3cc(F)c4ncccc4c3)n2)C1.
What is the InChIKey of 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine?
The InChIKey is BSXWLRIXDIGQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5S/c1-27-26-7-3-5-14(11-26)24-19-23-10-16(21)18(25-19)13-8-12-4-2-6-22-17(12)15(20)9-13/h2,4,6,8-10,14H,3,5,7,11H2,1H3,(H,23,24,25).
What are the key properties of 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine?
5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine has a molecular weight of 387.46 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 167163320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).