6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine

C22H22FN5S — CID 146197378

IUPAC6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCNCc1ccccc1-c1ccc(C(C)Nc2nc(C)nc3cnc(F)cc23)s1
InChIInChI=1S/C22H22FN5S/c1-13(26-22-17-10-21(23)25-12-18(17)27-14(2)28-22)19-8-9-20(29-19)16-7-5-4-6-15(16)11-24-3/h4-10,12-13,24H,11H2,1-3H3,(H,26,27,28)
InChIKeyMMABWUHWVJTWKL-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.09
Rot. Bonds6

About 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine

6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146197378) has the molecular formula C22H22FN5S and a molecular weight of 407.52 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID146197378
Molecular FormulaC22H22FN5S
Molecular Weight407.52 g/mol
Exact Mass407.16
IUPAC Name6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCNCc1ccccc1-c1ccc(C(C)Nc2nc(C)nc3cnc(F)cc23)s1
InChIInChI=1S/C22H22FN5S/c1-13(26-22-17-10-21(23)25-12-18(17)27-14(2)28-22)19-8-9-20(29-19)16-7-5-4-6-15(16)11-24-3/h4-10,12-13,24H,11H2,1-3H3,(H,26,27,28)
InChIKeyMMABWUHWVJTWKL-UHFFFAOYSA-N
XLogP5.09
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-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-N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-2-methyl-6-N-(oxan-4-yl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 146197418
N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-2-methyl-6-(3-pyrazol-1-ylpropyl)pyrido[3,4-d]pyrimidin-4-amine
CID 167585540
N-[2-[[4-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethylamino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]amino]ethyl]acetamide
CID 146197359
N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6-(3-imidazol-1-ylpropyl)-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 167591479
methyl 2-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methylamino]acetate;N-methyl-2-(methylamino)acetamide
CID 174217422
2-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methylamino]-N,N-dimethylacetamide
CID 142432734
6,7-dimethoxy-2-methyl-N-[1-[5-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336862
6,7-dimethoxy-2-methyl-N-[1-[5-[2-(piperazin-1-ylmethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336448
N-benzyl-2-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methylamino]acetamide
CID 142432858
N-[4-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethylamino]-2-methylquinazolin-6-yl]-N-methylsulfonylmethanesulfonamide
CID 135336994
2-amino-3-[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]-N-phenylpropanamide
CID 154032227
7-(3,3-dimethylbutoxy)-6-methoxy-2-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 165134652

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine (CID 146197378) is 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine is CNCc1ccccc1-c1ccc(C(C)Nc2nc(C)nc3cnc(F)cc23)s1.
What is the InChIKey of 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is MMABWUHWVJTWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5S/c1-13(26-22-17-10-21(23)25-12-18(17)27-14(2)28-22)19-8-9-20(29-19)16-7-5-4-6-15(16)11-24-3/h4-10,12-13,24H,11H2,1-3H3,(H,26,27,28).
What are the key properties of 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 407.52 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146197378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).