N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide

C16H19ClN4O — CID 142259333

IUPACN-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccc(C)cc2)nc(Cl)c1C
InChIInChI=1S/C16H19ClN4O/c1-10-4-6-13(7-5-10)16-20-14(17)11(2)15(21-16)19-9-8-18-12(3)22/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyMEODCVKZDIRPTH-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.96
Rot. Bonds5

About N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 142259333) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID142259333
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccc(C)cc2)nc(Cl)c1C
InChIInChI=1S/C16H19ClN4O/c1-10-4-6-13(7-5-10)16-20-14(17)11(2)15(21-16)19-9-8-18-12(3)22/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyMEODCVKZDIRPTH-UHFFFAOYSA-N
XLogP2.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide (CID 142259333) is N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2ccc(C)cc2)nc(Cl)c1C.
What is the InChIKey of N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is MEODCVKZDIRPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10-4-6-13(7-5-10)16-20-14(17)11(2)15(21-16)19-9-8-18-12(3)22/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 318.81 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 142259333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).