2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide

C24H29N5O — CID 35397696

IUPAC2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide
SMILESCc1ccc(Nc2nc(C)c(NC(=O)C(C)(C)C)c(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H29N5O/c1-15-7-11-18(12-8-15)26-21-20(28-22(30)24(4,5)6)17(3)25-23(29-21)27-19-13-9-16(2)10-14-19/h7-14H,1-6H3,(H,28,30)(H2,25,26,27,29)
InChIKeyRWWCTUHPAGGZMA-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.87
Rot. Bonds5

About 2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide

2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide (PubChem CID 35397696) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide
PubChem CID35397696
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide
SMILESCc1ccc(Nc2nc(C)c(NC(=O)C(C)(C)C)c(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H29N5O/c1-15-7-11-18(12-8-15)26-21-20(28-22(30)24(4,5)6)17(3)25-23(29-21)27-19-13-9-16(2)10-14-19/h7-14H,1-6H3,(H,28,30)(H2,25,26,27,29)
InChIKeyRWWCTUHPAGGZMA-UHFFFAOYSA-N
XLogP5.87
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
CID 46324045
N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
CID 20932940
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]-3-methylbenzamide
CID 46324050
N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide
CID 46324048
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide
CID 22433684
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877
2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 1100701
6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 141334617
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
1-[4-amino-2-(4-methylanilino)pyrimidin-5-yl]ethanone
CID 143902091
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide (CID 35397696) is 2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide is Cc1ccc(Nc2nc(C)c(NC(=O)C(C)(C)C)c(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide?
The InChIKey is RWWCTUHPAGGZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-15-7-11-18(12-8-15)26-21-20(28-22(30)24(4,5)6)17(3)25-23(29-21)27-19-13-9-16(2)10-14-19/h7-14H,1-6H3,(H,28,30)(H2,25,26,27,29).
What are the key properties of 2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide?
2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide has a molecular weight of 403.53 g/mol, XLogP of 5.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 35397696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).