6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine

C18H26N4O — CID 112867874

IUPAC6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCCc2ccccc2OC)nc(C)n1
InChIInChI=1S/C18H26N4O/c1-4-5-11-19-17-13-18(22-14(2)21-17)20-12-10-15-8-6-7-9-16(15)23-3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,19,20,21,22)
InChIKeyXZPWAJSDUBTYNP-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.66
Rot. Bonds9

About 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine

6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112867874) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112867874
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCCc2ccccc2OC)nc(C)n1
InChIInChI=1S/C18H26N4O/c1-4-5-11-19-17-13-18(22-14(2)21-17)20-12-10-15-8-6-7-9-16(15)23-3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,19,20,21,22)
InChIKeyXZPWAJSDUBTYNP-UHFFFAOYSA-N
XLogP3.66
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-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

6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
4-N-butan-2-yl-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112868258
4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874136
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112872453
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726
6-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112870842
N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 133288903
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874149
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867967
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80770615
6-N-butyl-2-methyl-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112868003

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 112867874) is 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine is CCCCNc1cc(NCCc2ccccc2OC)nc(C)n1.
What is the InChIKey of 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is XZPWAJSDUBTYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-5-11-19-17-13-18(22-14(2)21-17)20-12-10-15-8-6-7-9-16(15)23-3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 314.43 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).