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

C17H24N4O — CID 112908206

IUPAC4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(C)nc(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C17H24N4O/c1-4-6-11-18-16-12-13(3)19-17(21-16)20-14-7-9-15(10-8-14)22-5-2/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19,20,21)
InChIKeyGUIIKWOVXMEGGS-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.14
Rot. Bonds8

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

4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112908206) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112908206
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(C)nc(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C17H24N4O/c1-4-6-11-18-16-12-13(3)19-17(21-16)20-14-7-9-15(10-8-14)22-5-2/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19,20,21)
InChIKeyGUIIKWOVXMEGGS-UHFFFAOYSA-N
XLogP4.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906938
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908592
4-N-(2,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112927977
2-N-(2,5-dimethylphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928127
4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908783
4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112906997
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112930929
4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930020
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930871
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935216
2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112926310
4-N-(3-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929892

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112908206) is 4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine is CCCCNc1cc(C)nc(Nc2ccc(OCC)cc2)n1.
What is the InChIKey of 4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is GUIIKWOVXMEGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-6-11-18-16-12-13(3)19-17(21-16)20-14-7-9-15(10-8-14)22-5-2/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112908206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).