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

C20H20N4O2 — CID 109356801

IUPACN-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)Nc2ccc(C)cc2C)ncn1
InChIInChI=1S/C20H20N4O2/c1-13-8-9-15(14(2)10-13)24-20(25)17-11-19(22-12-21-17)23-16-6-4-5-7-18(16)26-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeySVZVMDJVOOAFFQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109356801) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109356801
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)Nc2ccc(C)cc2C)ncn1
InChIInChI=1S/C20H20N4O2/c1-13-8-9-15(14(2)10-13)24-20(25)17-11-19(22-12-21-17)23-16-6-4-5-7-18(16)26-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeySVZVMDJVOOAFFQ-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

6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(2,4-difluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109359110
6-(2,4-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358773
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-(2,4-dimethylphenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109356803
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348977

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide (CID 109356801) is N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide is COc1ccccc1Nc1cc(C(=O)Nc2ccc(C)cc2C)ncn1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is SVZVMDJVOOAFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-8-9-15(14(2)10-13)24-20(25)17-11-19(22-12-21-17)23-16-6-4-5-7-18(16)26-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-6-(2-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-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).