2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide

C23H26N4O5 — CID 20959657

IUPAC2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(CNc2ncc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)n2)c1
InChIInChI=1S/C23H26N4O5/c1-14-18(13-25-23(26-14)24-12-15-7-6-8-17(9-15)29-2)22(28)27-16-10-19(30-3)21(32-5)20(11-16)31-4/h6-11,13H,12H2,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyOSICQNATHWMHMF-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.68
Rot. Bonds9

About 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide

2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 20959657) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID20959657
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(CNc2ncc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)n2)c1
InChIInChI=1S/C23H26N4O5/c1-14-18(13-25-23(26-14)24-12-15-7-6-8-17(9-15)29-2)22(28)27-16-10-19(30-3)21(32-5)20(11-16)31-4/h6-11,13H,12H2,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyOSICQNATHWMHMF-UHFFFAOYSA-N
XLogP3.68
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Sbi-0206965
CID 92044402
2-((3-acrylamido-4-methylphenyl)amino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide
CID 122633900
N-(4-phenoxy-phenyl)-3-{3-[4-(3,4,5-trimethoxy-phenylamino)-[1,3,5]triazin-2-yl]-pyridin-2-ylamino}benzamide
CID 10233129
4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218698
(3s)-N-[3-(Trifluoromethoxy)benzyl]-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
CID 53495177
(3s)-N-(4-Methylbenzyl)-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
CID 56596558
N-Methyl-2-[[4-[(3,4,5-Trimethoxyphenyl)amino]-1,3,5-Triazin-2-Yl]amino]benzamide
CID 71812784
2-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 11478504
2-(benzylamino)-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218700
2-[benzyl(methyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218701

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide (CID 20959657) is 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide is COc1cccc(CNc2ncc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is OSICQNATHWMHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-14-18(13-25-23(26-14)24-12-15-7-6-8-17(9-15)29-2)22(28)27-16-10-19(30-3)21(32-5)20(11-16)31-4/h6-11,13H,12H2,1-5H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 20959657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).