N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine

C105H81N21O11 — CID 160546747

IUPACN-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)cc(OC)c1.COc1cccc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)c1.O=[N+]([O-])c1ccc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)cc1.c1ccc(COc2cccc(Nc3nccc(-c4cnc(-c5ccccc5)o4)n3)c2)cc1.c1ccc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C26H20N4O2.C21H18N4O3.C20H16N4O2.C19H13N5O3.C19H14N4O/c1-3-8-19(9-4-1)18-31-22-13-7-12-21(16-22)29-26-27-15-14-23(30-26)24-17-28-25(32-24)20-10-5-2-6-11-20;1-26-16-10-15(11-17(12-16)27-2)24-21-22-9-8-18(25-21)19-13-23-20(28-19)14-6-4-3-5-7-14;1-25-16-9-5-8-15(12-16)23-20-21-11-10-17(24-20)18-13-22-19(26-18)14-6-3-2-4-7-14;25-24(26)15-8-6-14(7-9-15)22-19-20-11-10-16(23-19)17-12-21-18(27-17)13-4-2-1-3-5-13;1-3-7-14(8-4-1)18-21-13-17(24-18)16-11-12-20-19(23-16)22-15-9-5-2-6-10-15/h1-17H,18H2,(H,27,29,30);3-13H,1-2H3,(H,22,24,25);2-13H,1H3,(H,21,23,24);1-12H,(H,20,22,23);1-13H,(H,20,22,23)
InChIKeyQXNMIKQPCVJAGS-UHFFFAOYSA-N
MW1812.94 g/mol
LogP24.22
Rot. Bonds27

About N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine

N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine (PubChem CID 160546747) has the molecular formula C105H81N21O11 and a molecular weight of 1812.94 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine
PubChem CID160546747
Molecular FormulaC105H81N21O11
Molecular Weight1812.94 g/mol
Exact Mass1811.64
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)cc(OC)c1.COc1cccc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)c1.O=[N+]([O-])c1ccc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)cc1.c1ccc(COc2cccc(Nc3nccc(-c4cnc(-c5ccccc5)o4)n3)c2)cc1.c1ccc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C26H20N4O2.C21H18N4O3.C20H16N4O2.C19H13N5O3.C19H14N4O/c1-3-8-19(9-4-1)18-31-22-13-7-12-21(16-22)29-26-27-15-14-23(30-26)24-17-28-25(32-24)20-10-5-2-6-11-20;1-26-16-10-15(11-17(12-16)27-2)24-21-22-9-8-18(25-21)19-13-23-20(28-19)14-6-4-3-5-7-14;1-25-16-9-5-8-15(12-16)23-20-21-11-10-17(24-20)18-13-22-19(26-18)14-6-3-2-4-7-14;25-24(26)15-8-6-14(7-9-15)22-19-20-11-10-16(23-19)17-12-21-18(27-17)13-4-2-1-3-5-13;1-3-7-14(8-4-1)18-21-13-17(24-18)16-11-12-20-19(23-16)22-15-9-5-2-6-10-15/h1-17H,18H2,(H,27,29,30);3-13H,1-2H3,(H,22,24,25);2-13H,1H3,(H,21,23,24);1-12H,(H,20,22,23);1-13H,(H,20,22,23)
InChIKeyQXNMIKQPCVJAGS-UHFFFAOYSA-N
XLogP24.22
TPSA399.26 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001812.94
LogP ≤ 524.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine (CID 160546747) is N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)cc(OC)c1.COc1cccc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)c1.O=[N+]([O-])c1ccc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)cc1.c1ccc(COc2cccc(Nc3nccc(-c4cnc(-c5ccccc5)o4)n3)c2)cc1.c1ccc(Nc2nccc(-c3cnc(-c4ccccc4)o3)n2)cc1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine?
The InChIKey is QXNMIKQPCVJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2.C21H18N4O3.C20H16N4O2.C19H13N5O3.C19H14N4O/c1-3-8-19(9-4-1)18-31-22-13-7-12-21(16-22)29-26-27-15-14-23(30-26)24-17-28-25(32-24)20-10-5-2-6-11-20;1-26-16-10-15(11-17(12-16)27-2)24-21-22-9-8-18(25-21)19-13-23-20(28-19)14-6-4-3-5-7-14;1-25-16-9-5-8-15(12-16)23-20-21-11-10-17(24-20)18-13-22-19(26-18)14-6-3-2-4-7-14;25-24(26)15-8-6-14(7-9-15)22-19-20-11-10-16(23-19)17-12-21-18(27-17)13-4-2-1-3-5-13;1-3-7-14(8-4-1)18-21-13-17(24-18)16-11-12-20-19(23-16)22-15-9-5-2-6-10-15/h1-17H,18H2,(H,27,29,30);3-13H,1-2H3,(H,22,24,25);2-13H,1H3,(H,21,23,24);1-12H,(H,20,22,23);1-13H,(H,20,22,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine?
N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine has a molecular weight of 1812.94 g/mol, XLogP of 24.22, 27 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(4-nitrophenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-(3-phenylmethoxyphenyl)-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine;N-phenyl-4-(2-phenyl-1,3-oxazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 160546747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).