2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

C20H20N4O4 — CID 109317564

IUPAC2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3ccccc3OC)n2)c(OC)c1
InChIInChI=1S/C20H20N4O4/c1-26-13-8-9-15(18(12-13)28-3)23-20-21-11-10-16(24-20)19(25)22-14-6-4-5-7-17(14)27-2/h4-12H,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyZQNSDUNDPIDKQN-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.50
Rot. Bonds7

About 2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109317564) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109317564
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3ccccc3OC)n2)c(OC)c1
InChIInChI=1S/C20H20N4O4/c1-26-13-8-9-15(18(12-13)28-3)23-20-21-11-10-16(24-20)19(25)22-14-6-4-5-7-17(14)27-2/h4-12H,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyZQNSDUNDPIDKQN-UHFFFAOYSA-N
XLogP3.50
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
N-(2,4-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315278
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317538
N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318052
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109297406
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315277
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (CID 109317564) is 2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(Nc2nccc(C(=O)Nc3ccccc3OC)n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZQNSDUNDPIDKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-26-13-8-9-15(18(12-13)28-3)23-20-21-11-10-16(24-20)19(25)22-14-6-4-5-7-17(14)27-2/h4-12H,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).