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

C21H22N4O2 — CID 109356887

IUPACN-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)Nc3cc(C)ccc3C)ncn2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-27-17-9-7-16(8-10-17)24-20-12-19(22-13-23-20)21(26)25-18-11-14(2)5-6-15(18)3/h5-13H,4H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyCNATUMYAMWQJFU-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.49
Rot. Bonds6

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

N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109356887) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109356887
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)Nc3cc(C)ccc3C)ncn2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-27-17-9-7-16(8-10-17)24-20-12-19(22-13-23-20)21(26)25-18-11-14(2)5-6-15(18)3/h5-13H,4H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyCNATUMYAMWQJFU-UHFFFAOYSA-N
XLogP4.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356805
N-(2,6-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109357133
N-(2,4-dimethylphenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109356803
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357593
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
6-(4-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109358423
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide (CID 109356887) is N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide is CCOc1ccc(Nc2cc(C(=O)Nc3cc(C)ccc3C)ncn2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is CNATUMYAMWQJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-27-17-9-7-16(8-10-17)24-20-12-19(22-13-23-20)21(26)25-18-11-14(2)5-6-15(18)3/h5-13H,4H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide?
N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.49, 6 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-(4-ethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).