2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide

C20H20N4O3 — CID 109306303

IUPAC2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)NCc3ccccc3OC)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-26-16-9-7-15(8-10-16)23-20-21-12-11-17(24-20)19(25)22-13-14-5-3-4-6-18(14)27-2/h3-12H,13H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyBGUBFYGQXTUEKA-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.17
Rot. Bonds7

About 2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide

2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109306303) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109306303
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)NCc3ccccc3OC)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-26-16-9-7-15(8-10-16)23-20-21-12-11-17(24-20)19(25)22-13-14-5-3-4-6-18(14)27-2/h3-12H,13H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyBGUBFYGQXTUEKA-UHFFFAOYSA-N
XLogP3.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304126
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309
2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306327
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109306281
2-(3,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305458
N-[(2-methoxyphenyl)methyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109306237
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109305909
2-(3-chloro-4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304121
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306256
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide (CID 109306303) is 2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide is COc1ccc(Nc2nccc(C(=O)NCc3ccccc3OC)n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is BGUBFYGQXTUEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-16-9-7-15(8-10-16)23-20-21-12-11-17(24-20)19(25)22-13-14-5-3-4-6-18(14)27-2/h3-12H,13H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109306303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).