2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine

C17H24N4O — CID 112900381

IUPAC2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1ccnc(Nc2ccccc2OCC)n1
InChIInChI=1S/C17H24N4O/c1-3-5-8-12-18-16-11-13-19-17(21-16)20-14-9-6-7-10-15(14)22-4-2/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H2,18,19,20,21)
InChIKeyLFMRCZANQQUEMC-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.22
Rot. Bonds9

About 2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine

2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 112900381) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
PubChem CID112900381
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1ccnc(Nc2ccccc2OCC)n1
InChIInChI=1S/C17H24N4O/c1-3-5-8-12-18-16-11-13-19-17(21-16)20-14-9-6-7-10-15(14)22-4-2/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H2,18,19,20,21)
InChIKeyLFMRCZANQQUEMC-UHFFFAOYSA-N
XLogP4.22
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.22
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

4-N-[2-(4-chlorophenyl)ethyl]-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112897086
2-N-(2-ethoxyphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895416
ethyl 2-[[4-(pentylamino)pyrimidin-2-yl]amino]benzoate
CID 112900436
2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881861
4-N-butyl-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 112882902
2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904866
2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112883088
2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112902522
2-N-(2-ethoxyphenyl)-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112902830
4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882930
2-ethoxy-N-nonylaniline
CID 43129179
2-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112904858

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine (CID 112900381) is 2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine is CCCCCNc1ccnc(Nc2ccccc2OCC)n1.
What is the InChIKey of 2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is LFMRCZANQQUEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-5-8-12-18-16-11-13-19-17(21-16)20-14-9-6-7-10-15(14)22-4-2/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine?
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112900381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).