2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide

C20H20N4O3 — CID 109257842

IUPAC2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2ncc(C(=O)NCc3ccccc3OC)cn2)c1
InChIInChI=1S/C20H20N4O3/c1-26-17-8-5-7-16(10-17)24-20-22-12-15(13-23-20)19(25)21-11-14-6-3-4-9-18(14)27-2/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyXLRJWBVBDKFAJN-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.17
Rot. Bonds7

About 2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide

2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109257842) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109257842
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2ncc(C(=O)NCc3ccccc3OC)cn2)c1
InChIInChI=1S/C20H20N4O3/c1-26-17-8-5-7-16(10-17)24-20-22-12-15(13-23-20)19(25)21-11-14-6-3-4-9-18(14)27-2/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyXLRJWBVBDKFAJN-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-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257822
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257864
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257821
N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260302
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109257453
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256972
2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 97444562

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide (CID 109257842) is 2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide is COc1cccc(Nc2ncc(C(=O)NCc3ccccc3OC)cn2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is XLRJWBVBDKFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-8-5-7-16(10-17)24-20-22-12-15(13-23-20)19(25)21-11-14-6-3-4-9-18(14)27-2/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-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-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).