N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide

C22H25N5O3 — CID 122325626

IUPACN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)c3cccc(OC)c3OC)cc2)n1
InChIInChI=1S/C22H25N5O3/c1-5-23-22-24-14(2)13-19(27-22)25-15-9-11-16(12-10-15)26-21(28)17-7-6-8-18(29-3)20(17)30-4/h6-13H,5H2,1-4H3,(H,26,28)(H2,23,24,25,27)
InChIKeyIRCIREKQPAXXPU-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.23
Rot. Bonds8

About N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide (PubChem CID 122325626) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide
PubChem CID122325626
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)c3cccc(OC)c3OC)cc2)n1
InChIInChI=1S/C22H25N5O3/c1-5-23-22-24-14(2)13-19(27-22)25-15-9-11-16(12-10-15)26-21(28)17-7-6-8-18(29-3)20(17)30-4/h6-13H,5H2,1-4H3,(H,26,28)(H2,23,24,25,27)
InChIKeyIRCIREKQPAXXPU-UHFFFAOYSA-N
XLogP4.23
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dimethoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
CID 122324842
2-bromo-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-5-methoxybenzamide
CID 122325809
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122325741
2,3-dimethoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
CID 42474486
2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide
CID 122325711
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-fluorobenzamide
CID 53047801
3-chloro-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 53047804
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
CID 122324837
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methoxybenzamide;2-methoxybenzamide
CID 154995677
2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 44522261
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 122325693
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]furan-3-carboxamide
CID 122325764

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide (CID 122325626) is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide is CCNc1nc(C)cc(Nc2ccc(NC(=O)c3cccc(OC)c3OC)cc2)n1.
What is the InChIKey of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide?
The InChIKey is IRCIREKQPAXXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-5-23-22-24-14(2)13-19(27-22)25-15-9-11-16(12-10-15)26-21(28)17-7-6-8-18(29-3)20(17)30-4/h6-13H,5H2,1-4H3,(H,26,28)(H2,23,24,25,27).
What are the key properties of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide?
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide has a molecular weight of 407.47 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 122325626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).