N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide

C19H19N5O — CID 112902066

IUPACN-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C19H19N5O/c1-14(25)21-15-8-10-16(11-9-15)22-19-20-13-12-18(23-19)24(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyRLLHQGFEJICMSL-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.95
Rot. Bonds5

About N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 112902066) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID112902066
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C19H19N5O/c1-14(25)21-15-8-10-16(11-9-15)22-19-20-13-12-18(23-19)24(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyRLLHQGFEJICMSL-UHFFFAOYSA-N
XLogP3.95
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902069
N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112962410
2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902020
N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112899132
4-N-methyl-4-N-phenyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112902075
2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109315894
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
1-[4-[methyl-[2-(2-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 129077091
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902093
2-N-(2-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902024
1-[4-[methyl-[2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 10289716

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide (CID 112902066) is N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nccc(N(C)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is RLLHQGFEJICMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14(25)21-15-8-10-16(11-9-15)22-19-20-13-12-18(23-19)24(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 333.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112902066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).