6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide

C90H96N26O9 — CID 158124446

IUPAC6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCC[C@H](Nc1nc(C)nc(C)c1C#N)c1nc2cccc(CN(C)c3ncc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1nc(C)nc(C)c1C#N)c1nc2cccc(NCCCCC(=O)NO)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1nc(C)nc(C)c1C#N)c1nc2cccc(NCCCCCC(=O)NO)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C31H30N10O3.C30H34N8O3.C29H32N8O3/c1-5-24(37-27-23(14-32)18(2)35-19(3)36-27)28-38-25-13-9-10-20(26(25)30(43)41(28)22-11-7-6-8-12-22)17-40(4)31-33-15-21(16-34-31)29(42)39-44;1-4-23(35-28-22(18-31)19(2)33-20(3)34-28)29-36-25-15-11-14-24(32-17-10-6-9-16-26(39)37-41)27(25)30(40)38(29)21-12-7-5-8-13-21;1-4-22(34-27-21(17-30)18(2)32-19(3)33-27)28-35-24-14-10-13-23(31-16-9-8-15-25(38)36-40)26(24)29(39)37(28)20-11-6-5-7-12-20/h6-13,15-16,24,44H,5,17H2,1-4H3,(H,39,42)(H,35,36,37);5,7-8,11-15,23,32,41H,4,6,9-10,16-17H2,1-3H3,(H,37,39)(H,33,34,35);5-7,10-14,22,31,40H,4,8-9,15-16H2,1-3H3,(H,36,38)(H,32,33,34)/t24-;23-;22-/m000/s1
InChIKeyFRZJOLKBTMOMFF-XRVLSQSXSA-N
MW1685.93 g/mol
LogP12.79
Rot. Bonds32

About 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide

6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 158124446) has the molecular formula C90H96N26O9 and a molecular weight of 1685.93 g/mol. Its IUPAC name is 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID158124446
Molecular FormulaC90H96N26O9
Molecular Weight1685.93 g/mol
Exact Mass1684.79
IUPAC Name6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCC[C@H](Nc1nc(C)nc(C)c1C#N)c1nc2cccc(CN(C)c3ncc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1nc(C)nc(C)c1C#N)c1nc2cccc(NCCCCC(=O)NO)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1nc(C)nc(C)c1C#N)c1nc2cccc(NCCCCCC(=O)NO)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C31H30N10O3.C30H34N8O3.C29H32N8O3/c1-5-24(37-27-23(14-32)18(2)35-19(3)36-27)28-38-25-13-9-10-20(26(25)30(43)41(28)22-11-7-6-8-12-22)17-40(4)31-33-15-21(16-34-31)29(42)39-44;1-4-23(35-28-22(18-31)19(2)33-20(3)34-28)29-36-25-15-11-14-24(32-17-10-6-9-16-26(39)37-41)27(25)30(40)38(29)21-12-7-5-8-13-21;1-4-22(34-27-21(17-30)18(2)32-19(3)33-27)28-35-24-14-10-13-23(31-16-9-8-15-25(38)36-40)26(24)29(39)37(28)20-11-6-5-7-12-20/h6-13,15-16,24,44H,5,17H2,1-4H3,(H,39,42)(H,35,36,37);5,7-8,11-15,23,32,41H,4,6,9-10,16-17H2,1-3H3,(H,37,39)(H,33,34,35);5-7,10-14,22,31,40H,4,8-9,15-16H2,1-3H3,(H,36,38)(H,32,33,34)/t24-;23-;22-/m000/s1
InChIKeyFRZJOLKBTMOMFF-XRVLSQSXSA-N
XLogP12.79
TPSA490.54 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001685.93
LogP ≤ 512.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[[[2-[(1S)-1-[(6-amino-5-cyano-2-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide;4-[[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide;6-[2-[(1S)-1-[(2,5-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]-N-hydroxyhexanamide
CID 160920476
4-[[[2-[(1S)-1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]-methylamino]methyl]-N-hydroxybenzamide
CID 142506154
2-[1-[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]piperidin-4-yl]-N-hydroxyacetamide
CID 159954452
6-[2-[(1S)-1-[(2-amino-5-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]-N-hydroxyhexanamide
CID 142506119
4-amino-6-[[(1S)-1-[5-[[4-(hydroxycarbamoyl)phenyl]methylamino]-4-oxo-3-phenylquinazolin-2-yl]propyl]amino]-2-methylpyrimidine-5-carboxamide
CID 142506274
2-[1-[2-[1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]piperidin-4-yl]-N-hydroxyacetamide
CID 137368244
3-[1-[2-[(1S)-1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]piperidin-4-yl]-N-hydroxypropanamide;2-amino-4-methyl-6-[[(1S)-1-[4-oxo-5-[4-(3-oxobutyl)piperidin-1-yl]-3-phenylquinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
CID 161234267
4-[[[2-[(1S)-1-[(6-amino-5-cyano-2-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide;5-[[[5-(2-hydroxyacetyl)pyrimidin-2-yl]amino]methyl]-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one;N-hydroxy-2-[[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]methyl]-1,3-thiazole-4-carboxamide
CID 158630677
tert-butyl N-[(1S)-1-[4-oxo-5-(6-oxoheptylamino)-3-phenylquinazolin-2-yl]propyl]carbamate
CID 158403850
2,4-diamino-6-methylpyrimidine-5-carbonitrile;N-hydroxy-6-(4-oxo-3-phenyl-2-propylquinazolin-5-yl)hexanamide
CID 142506241
N-hydroxy-2-[[2-[(1S)-1-(1H-imidazo[4,5-c]pyridin-4-ylamino)propyl]-4-oxo-3-phenylquinazolin-5-yl]methylamino]-1,3-thiazole-4-carboxamide
CID 159823187
5-[(2-cyclopropyl-4-oxo-3-phenylquinazolin-5-yl)amino]-N-hydroxypentanamide;hydroxylamine;methyl 5-[(2-cyclopropyl-4-oxo-3-phenylquinazolin-5-yl)amino]pentanoate
CID 159446018

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide (CID 158124446) is 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide is CC[C@H](Nc1nc(C)nc(C)c1C#N)c1nc2cccc(CN(C)c3ncc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1nc(C)nc(C)c1C#N)c1nc2cccc(NCCCCC(=O)NO)c2c(=O)n1-c1ccccc1.CC[C@H](Nc1nc(C)nc(C)c1C#N)c1nc2cccc(NCCCCCC(=O)NO)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is FRZJOLKBTMOMFF-XRVLSQSXSA-N. The full InChI is InChI=1S/C31H30N10O3.C30H34N8O3.C29H32N8O3/c1-5-24(37-27-23(14-32)18(2)35-19(3)36-27)28-38-25-13-9-10-20(26(25)30(43)41(28)22-11-7-6-8-12-22)17-40(4)31-33-15-21(16-34-31)29(42)39-44;1-4-23(35-28-22(18-31)19(2)33-20(3)34-28)29-36-25-15-11-14-24(32-17-10-6-9-16-26(39)37-41)27(25)30(40)38(29)21-12-7-5-8-13-21;1-4-22(34-27-21(17-30)18(2)32-19(3)33-27)28-35-24-14-10-13-23(31-16-9-8-15-25(38)36-40)26(24)29(39)37(28)20-11-6-5-7-12-20/h6-13,15-16,24,44H,5,17H2,1-4H3,(H,39,42)(H,35,36,37);5,7-8,11-15,23,32,41H,4,6,9-10,16-17H2,1-3H3,(H,37,39)(H,33,34,35);5-7,10-14,22,31,40H,4,8-9,15-16H2,1-3H3,(H,36,38)(H,32,33,34)/t24-;23-;22-/m000/s1.
What are the key properties of 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide?
6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 1685.93 g/mol, XLogP of 12.79, 32 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxyhexanamide;5-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]-N-hydroxypentanamide;2-[[2-[(1S)-1-[(5-cyano-2,6-dimethylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 158124446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).