N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine

C23H24N6O — CID 141177532

IUPACN-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncc(N/C=C3\CN=Cc4ccc(-c5ccoc5)cc43)cn2)CC1
InChIInChI=1S/C23H24N6O/c1-28-5-7-29(8-6-28)23-26-14-21(15-27-23)25-13-20-12-24-11-18-3-2-17(10-22(18)20)19-4-9-30-16-19/h2-4,9-11,13-16,25H,5-8,12H2,1H3/b20-13+
InChIKeyBZCBCGFNIITWKD-DEDYPNTBSA-N
MW400.49 g/mol
LogP3.37
Rot. Bonds4

About N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine

N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 141177532) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID141177532
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncc(N/C=C3\CN=Cc4ccc(-c5ccoc5)cc43)cn2)CC1
InChIInChI=1S/C23H24N6O/c1-28-5-7-29(8-6-28)23-26-14-21(15-27-23)25-13-20-12-24-11-18-3-2-17(10-22(18)20)19-4-9-30-16-19/h2-4,9-11,13-16,25H,5-8,12H2,1H3/b20-13+
InChIKeyBZCBCGFNIITWKD-DEDYPNTBSA-N
XLogP3.37
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine with MolForge

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Related Compounds

N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 141177346
N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine
CID 141177489
N-[[6-(1H-indol-5-yl)-3H-isoquinolin-4-ylidene]methyl]-4-(4-methylpiperazin-1-yl)aniline
CID 141177542
5-[4-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-3H-isoquinolin-6-yl]pent-4-en-1-ol
CID 141177485
2-(azetidin-1-yl)-5-(furan-3-yl)pyrimidine
CID 154829188
1-[[4-[[6-(4-fluorophenyl)-3H-isoquinolin-4-ylidene]methylamino]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 69151582
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122299154
N-(3-chloro-4-methoxyphenyl)-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 155532047
N-(3-chloro-4-methoxyphenyl)-7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]quinolin-4-amine
CID 155560034
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine
CID 23000436

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine (CID 141177532) is N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine is CN1CCN(c2ncc(N/C=C3\CN=Cc4ccc(-c5ccoc5)cc43)cn2)CC1.
What is the InChIKey of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is BZCBCGFNIITWKD-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H24N6O/c1-28-5-7-29(8-6-28)23-26-14-21(15-27-23)25-13-20-12-24-11-18-3-2-17(10-22(18)20)19-4-9-30-16-19/h2-4,9-11,13-16,25H,5-8,12H2,1H3/b20-13+.
What are the key properties of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 400.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 141177532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).