2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine

C15H18Cl2N4 — CID 112908448

IUPAC2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(C)cc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H18Cl2N4/c1-3-4-8-18-15-19-10(2)9-13(21-15)20-14-11(16)6-5-7-12(14)17/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyJNRABRTUHCNEIF-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.05
Rot. Bonds6

About 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine

2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112908448) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112908448
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(C)cc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H18Cl2N4/c1-3-4-8-18-15-19-10(2)9-13(21-15)20-14-11(16)6-5-7-12(14)17/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyJNRABRTUHCNEIF-UHFFFAOYSA-N
XLogP5.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine 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

4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925569
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846976
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
4-N-(2,5-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925567
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907386
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
4-N-(3-chloro-2-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80762805
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112932237
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112908412
4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 83075606
2-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194565

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112908448) is 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine is CCCCNc1nc(C)cc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is JNRABRTUHCNEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-3-4-8-18-15-19-10(2)9-13(21-15)20-14-11(16)6-5-7-12(14)17/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 325.24 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112908448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).