4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane

C59H61ClN16O2 — CID 157225854

IUPAC4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane
SMILESC.CN(C)c1ccc2c(Cl)ccnc2c1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5cc(N(C)C)ccc45)cc3)cc2)nc(N)n1
InChIInChI=1S/C29H28N8O.C18H18N6O.C11H11ClN2.CH4/c1-18-16-27(36-29(30)32-18)34-21-8-10-22(11-9-21)35-28(38)19-4-6-20(7-5-19)33-25-14-15-31-26-17-23(37(2)3)12-13-24(25)26;1-11-10-16(24-18(20)21-11)22-14-6-8-15(9-7-14)23-17(25)12-2-4-13(19)5-3-12;1-14(2)8-3-4-9-10(12)5-6-13-11(9)7-8;/h4-17H,1-3H3,(H,31,33)(H,35,38)(H3,30,32,34,36);2-10H,19H2,1H3,(H,23,25)(H3,20,21,22,24);3-7H,1-2H3;1H4
InChIKeyATNKRFQXSAADOB-UHFFFAOYSA-N
MW1061.70 g/mol
LogP12.26
Rot. Bonds12

About 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane

4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane (PubChem CID 157225854) has the molecular formula C59H61ClN16O2 and a molecular weight of 1061.70 g/mol. Its IUPAC name is 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane.

Molecular Properties

Compound Name4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane
PubChem CID157225854
Molecular FormulaC59H61ClN16O2
Molecular Weight1061.70 g/mol
Exact Mass1060.49
IUPAC Name4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane
SMILESC.CN(C)c1ccc2c(Cl)ccnc2c1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5cc(N(C)C)ccc45)cc3)cc2)nc(N)n1
InChIInChI=1S/C29H28N8O.C18H18N6O.C11H11ClN2.CH4/c1-18-16-27(36-29(30)32-18)34-21-8-10-22(11-9-21)35-28(38)19-4-6-20(7-5-19)33-25-14-15-31-26-17-23(37(2)3)12-13-24(25)26;1-11-10-16(24-18(20)21-11)22-14-6-8-15(9-7-14)23-17(25)12-2-4-13(19)5-3-12;1-14(2)8-3-4-9-10(12)5-6-13-11(9)7-8;/h4-17H,1-3H3,(H,31,33)(H,35,38)(H3,30,32,34,36);2-10H,19H2,1H3,(H,23,25)(H3,20,21,22,24);3-7H,1-2H3;1H4
InChIKeyATNKRFQXSAADOB-UHFFFAOYSA-N
XLogP12.26
TPSA256.17 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001061.70
LogP ≤ 512.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane with MolForge

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Related Compounds

Sgi-1027
CID 24858111
4-Chloro-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
CID 9953676
3-chloro-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 10007129
3-Pyridinecarboxamide, 6-chloro-N-[4-[[[2-(methylamino)-4-quinazolinyl]amino]methyl]phenyl]-
CID 25025509
2-Chloro-N-[4-({[2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]isonicotinamide
CID 25025510
6-chloro-N-[4-({[8-methyl-2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]nicotinamide
CID 25027105
N-(2,6-dimethylphenyl)-4-[(4-phenylpyrido[2,3-d]pyrimidin-2-yl)amino]benzamide
CID 44565644
6-chloro-N-[4-[[[7-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 44818493
6-chloro-N-[4-[[[5-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 44818495
N-[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide
CID 59457983
N-(3-(2-Amino-6-methylpyrimidin-4-ylamino)phenyl)-3-(quinolin-4-ylamino)benzamide
CID 76318201
4-[[6-(prop-2-enoylamino)quinazolin-4-yl]amino]-N-pyridin-2-ylbenzamide
CID 121273453

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane?
The IUPAC name of 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane (CID 157225854) is 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane.
What is the SMILES notation for 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane?
The canonical SMILES for 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane is C.CN(C)c1ccc2c(Cl)ccnc2c1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5cc(N(C)C)ccc45)cc3)cc2)nc(N)n1.
What is the InChIKey of 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane?
The InChIKey is ATNKRFQXSAADOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O.C18H18N6O.C11H11ClN2.CH4/c1-18-16-27(36-29(30)32-18)34-21-8-10-22(11-9-21)35-28(38)19-4-6-20(7-5-19)33-25-14-15-31-26-17-23(37(2)3)12-13-24(25)26;1-11-10-16(24-18(20)21-11)22-14-6-8-15(9-7-14)23-17(25)12-2-4-13(19)5-3-12;1-14(2)8-3-4-9-10(12)5-6-13-11(9)7-8;/h4-17H,1-3H3,(H,31,33)(H,35,38)(H3,30,32,34,36);2-10H,19H2,1H3,(H,23,25)(H3,20,21,22,24);3-7H,1-2H3;1H4.
What are the key properties of 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane?
4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane has a molecular weight of 1061.70 g/mol, XLogP of 12.26, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide;N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-[[7-(dimethylamino)quinolin-4-yl]amino]benzamide;4-chloro-N,N-dimethylquinolin-7-amine;methane is sourced from PubChem (CID 157225854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).