N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide

C20H20N4O2 — CID 109356884

IUPACN-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3cc(C)ccc3C)ncn2)c1
InChIInChI=1S/C20H20N4O2/c1-13-7-8-14(2)17(9-13)24-20(25)18-11-19(22-12-21-18)23-15-5-4-6-16(10-15)26-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyCOCBOHSZRGBXDQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds5

About N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide

N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109356884) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109356884
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3cc(C)ccc3C)ncn2)c1
InChIInChI=1S/C20H20N4O2/c1-13-7-8-14(2)17(9-13)24-20(25)18-11-19(22-12-21-18)23-15-5-4-6-16(10-15)26-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyCOCBOHSZRGBXDQ-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

N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356910
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
methyl 2-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358805
N-(2,4-dimethylphenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109356803
N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109357754
N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356887
6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358798
N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112848883
6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356913

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 109356884) is N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2cc(C(=O)Nc3cc(C)ccc3C)ncn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is COCBOHSZRGBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-7-8-14(2)17(9-13)24-20(25)18-11-19(22-12-21-18)23-15-5-4-6-16(10-15)26-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-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-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).