6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

C22H23N5O2 — CID 109357704

IUPAC6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)Nc3c(C)cc(C)cc3C)ncn2)cc1
InChIInChI=1S/C22H23N5O2/c1-13-9-14(2)21(15(3)10-13)27-22(29)19-11-20(24-12-23-19)26-18-7-5-17(6-8-18)25-16(4)28/h5-12H,1-4H3,(H,25,28)(H,27,29)(H,23,24,26)
InChIKeyYIRSCSZCXUIVEZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.36
Rot. Bonds5

About 6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109357704) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109357704
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)Nc3c(C)cc(C)cc3C)ncn2)cc1
InChIInChI=1S/C22H23N5O2/c1-13-9-14(2)21(15(3)10-13)27-22(29)19-11-20(24-12-23-19)26-18-7-5-17(6-8-18)25-16(4)28/h5-12H,1-4H3,(H,25,28)(H,27,29)(H,23,24,26)
InChIKeyYIRSCSZCXUIVEZ-UHFFFAOYSA-N
XLogP4.36
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357545
N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109357676
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
N-(2,6-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109357133
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340900
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356962
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (CID 109357704) is 6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is CC(=O)Nc1ccc(Nc2cc(C(=O)Nc3c(C)cc(C)cc3C)ncn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is YIRSCSZCXUIVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-9-14(2)21(15(3)10-13)27-22(29)19-11-20(24-12-23-19)26-18-7-5-17(6-8-18)25-16(4)28/h5-12H,1-4H3,(H,25,28)(H,27,29)(H,23,24,26).
What are the key properties of 6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).