2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide

C23H26N4O4 — CID 42474486

IUPAC2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
SMILESCCCOc1cc(Nc2ccc(NC(=O)c3cccc(OC)c3OC)cc2)nc(C)n1
InChIInChI=1S/C23H26N4O4/c1-5-13-31-21-14-20(24-15(2)25-21)26-16-9-11-17(12-10-16)27-23(28)18-7-6-8-19(29-3)22(18)30-4/h6-12,14H,5,13H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyNNSHAZSYTCUUFQ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.59
Rot. Bonds9

About 2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide

2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 42474486) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID42474486
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
SMILESCCCOc1cc(Nc2ccc(NC(=O)c3cccc(OC)c3OC)cc2)nc(C)n1
InChIInChI=1S/C23H26N4O4/c1-5-13-31-21-14-20(24-15(2)25-21)26-16-9-11-17(12-10-16)27-23(28)18-7-6-8-19(29-3)22(18)30-4/h6-12,14H,5,13H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyNNSHAZSYTCUUFQ-UHFFFAOYSA-N
XLogP4.59
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
CID 42065448
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide
CID 122325626
1-(2-ethoxyphenyl)-3-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]urea
CID 42474648
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide
CID 42474427
2-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-4-fluorobenzamide
CID 42474455
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-(4-ethoxyphenyl)-2-methoxy-3-methylbenzamide
CID 883648
N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474846
1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 42474616
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 7593665
4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474850
2-chloro-4-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 42474385

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide (CID 42474486) is 2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide is CCCOc1cc(Nc2ccc(NC(=O)c3cccc(OC)c3OC)cc2)nc(C)n1.
What is the InChIKey of 2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is NNSHAZSYTCUUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-5-13-31-21-14-20(24-15(2)25-21)26-16-9-11-17(12-10-16)27-23(28)18-7-6-8-19(29-3)22(18)30-4/h6-12,14H,5,13H2,1-4H3,(H,27,28)(H,24,25,26).
What are the key properties of 2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide?
2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 42474486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).