6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine

C24H26N4S — CID 159689013

IUPAC6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine
SMILESCNCc1ccccc1-c1csc(C(C)Nc2nncc3cc(C)c(C)cc23)c1
InChIInChI=1S/C24H26N4S/c1-15-9-19-13-26-28-24(22(19)10-16(15)2)27-17(3)23-11-20(14-29-23)21-8-6-5-7-18(21)12-25-4/h5-11,13-14,17,25H,12H2,1-4H3,(H,27,28)
InChIKeyACAXTGJSNIAUJY-UHFFFAOYSA-N
MW402.57 g/mol
LogP5.87
Rot. Bonds6

About 6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine

6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine (PubChem CID 159689013) has the molecular formula C24H26N4S and a molecular weight of 402.57 g/mol. Its IUPAC name is 6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine.

Molecular Properties

Compound Name6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine
PubChem CID159689013
Molecular FormulaC24H26N4S
Molecular Weight402.57 g/mol
Exact Mass402.19
IUPAC Name6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine
SMILESCNCc1ccccc1-c1csc(C(C)Nc2nncc3cc(C)c(C)cc23)c1
InChIInChI=1S/C24H26N4S/c1-15-9-19-13-26-28-24(22(19)10-16(15)2)27-17(3)23-11-20(14-29-23)21-8-6-5-7-18(21)12-25-4/h5-11,13-14,17,25H,12H2,1-4H3,(H,27,28)
InChIKeyACAXTGJSNIAUJY-UHFFFAOYSA-N
XLogP5.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,3-dimethylbutoxy)-6-methoxy-2-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 165134652
methyl 4-[6-methoxy-2-methyl-4-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethylamino]quinazolin-7-yl]oxy-2,2,3,3-tetramethylbutanoate
CID 165134783
2-methyl-4-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]-6-[(3S)-oxolan-3-yl]oxy-8H-pyrido[2,3-d]pyrimidin-7-one
CID 164872863
[4-[4-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]cinnolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(oxetan-3-yl)methanone
CID 171504092
6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane
CID 156726428
1-(3-ethyl-2-methylundecyl)-4-[7-methoxy-2-methyl-4-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]quinazolin-6-yl]-N-methylcyclohexane-1-carboxamide
CID 175325004
6-fluoro-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
CID 146197378
N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine
CID 164648701
3-[7-[1-[7-[6-methoxy-2-methyl-4-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]quinazolin-7-yl]oxyheptyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170679841
N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine
CID 62489827
(2S,4R)-4-hydroxy-1-[(2S)-2-[3-[6-methoxy-2-methyl-4-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]quinazolin-7-yl]oxypropanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 170679837
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

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine?
The IUPAC name of 6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine (CID 159689013) is 6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine.
What is the SMILES notation for 6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine?
The canonical SMILES for 6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine is CNCc1ccccc1-c1csc(C(C)Nc2nncc3cc(C)c(C)cc23)c1.
What is the InChIKey of 6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine?
The InChIKey is ACAXTGJSNIAUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4S/c1-15-9-19-13-26-28-24(22(19)10-16(15)2)27-17(3)23-11-20(14-29-23)21-8-6-5-7-18(21)12-25-4/h5-11,13-14,17,25H,12H2,1-4H3,(H,27,28).
What are the key properties of 6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine?
6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine has a molecular weight of 402.57 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]phthalazin-1-amine is sourced from PubChem (CID 159689013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).