N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide

C20H20N4O2 — CID 109266400

IUPACN-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2ncc(C(=O)Nc3ccc(C)cc3C)cn2)c1
InChIInChI=1S/C20H20N4O2/c1-13-7-8-18(14(2)9-13)24-19(25)15-11-21-20(22-12-15)23-16-5-4-6-17(10-16)26-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyPDGUBTXCRFTONM-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide

N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109266400) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109266400
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2ncc(C(=O)Nc3ccc(C)cc3C)cn2)c1
InChIInChI=1S/C20H20N4O2/c1-13-7-8-18(14(2)9-13)24-19(25)15-11-21-20(22-12-15)23-16-5-4-6-17(10-16)26-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyPDGUBTXCRFTONM-UHFFFAOYSA-N
XLogP4.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266425
2-(3-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266441
2-(2,6-dimethylanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266373
2-(3,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266432
N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109266557
2-(4-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266398
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147
5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242737
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
2-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266445
methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269515

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide (CID 109266400) is N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide is COc1cccc(Nc2ncc(C(=O)Nc3ccc(C)cc3C)cn2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is PDGUBTXCRFTONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-7-8-18(14(2)9-13)24-19(25)15-11-21-20(22-12-15)23-16-5-4-6-17(10-16)26-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).