4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine

C14H18N4O — CID 22546283

IUPAC4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2ccc(C)c(C)c2)c1N
InChIInChI=1S/C14H18N4O/c1-4-19-14-12(15)13(16-8-17-14)18-11-6-5-9(2)10(3)7-11/h5-8H,4,15H2,1-3H3,(H,16,17,18)
InChIKeyHLXZOPCLEDFXEL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.82
Rot. Bonds4

About 4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine

4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine (PubChem CID 22546283) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
PubChem CID22546283
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2ccc(C)c(C)c2)c1N
InChIInChI=1S/C14H18N4O/c1-4-19-14-12(15)13(16-8-17-14)18-11-6-5-9(2)10(3)7-11/h5-8H,4,15H2,1-3H3,(H,16,17,18)
InChIKeyHLXZOPCLEDFXEL-UHFFFAOYSA-N
XLogP2.82
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
ethyl 4-[(5-amino-6-ethoxypyrimidin-4-yl)amino]benzoate
CID 19146384
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546240
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
6-(3,4-dimethylphenoxy)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19148973
4-N-(3-chloro-5-fluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 107363613
4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine
CID 115376291

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine (CID 22546283) is 4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine is CCOc1ncnc(Nc2ccc(C)c(C)c2)c1N.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine?
The InChIKey is HLXZOPCLEDFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-19-14-12(15)13(16-8-17-14)18-11-6-5-9(2)10(3)7-11/h5-8H,4,15H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine?
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine is sourced from PubChem (CID 22546283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).