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

C15H18Cl2N4 — CID 112864278

IUPAC4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2c(Cl)cccc2Cl)ncn1
InChIInChI=1S/C15H18Cl2N4/c1-3-4-8-21(2)14-9-13(18-10-19-14)20-15-11(16)6-5-7-12(15)17/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19,20)
InChIKeyUBGJYYNBMVHVKS-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.76
Rot. Bonds6

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

4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 112864278) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID112864278
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2c(Cl)cccc2Cl)ncn1
InChIInChI=1S/C15H18Cl2N4/c1-3-4-8-21(2)14-9-13(18-10-19-14)20-15-11(16)6-5-7-12(15)17/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19,20)
InChIKeyUBGJYYNBMVHVKS-UHFFFAOYSA-N
XLogP4.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-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-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864218
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
methyl 3-[[6-[butyl(methyl)amino]pyrimidin-4-yl]amino]-4-chlorobenzoate
CID 112864253
6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864264
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
CID 115264736
6-N-(1,3-benzodioxol-5-yl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864267
6-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861905
6-N-(2,6-diethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861838
4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80794976
N-butyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416253
6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
CID 115263934

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine (CID 112864278) is 4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine is CCCCN(C)c1cc(Nc2c(Cl)cccc2Cl)ncn1.
What is the InChIKey of 4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is UBGJYYNBMVHVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-3-4-8-21(2)14-9-13(18-10-19-14)20-15-11(16)6-5-7-12(15)17/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 325.24 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).