6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine

C13H16N4O — CID 19148280

IUPAC6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2cccc(C)c2)c1N
InChIInChI=1S/C13H16N4O/c1-3-18-13-11(14)12(15-8-16-13)17-10-6-4-5-9(2)7-10/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyCLHITISSWRXYEC-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.51
Rot. Bonds4

About 6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine

6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 19148280) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
PubChem CID19148280
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2cccc(C)c2)c1N
InChIInChI=1S/C13H16N4O/c1-3-18-13-11(14)12(15-8-16-13)17-10-6-4-5-9(2)7-10/h4-8H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyCLHITISSWRXYEC-UHFFFAOYSA-N
XLogP2.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890
4-N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22540817
ethyl 4-[(5-amino-6-ethoxypyrimidin-4-yl)amino]benzoate
CID 19146384
4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
CID 115376024

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine (CID 19148280) is 6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine is CCOc1ncnc(Nc2cccc(C)c2)c1N.
What is the InChIKey of 6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is CLHITISSWRXYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-18-13-11(14)12(15-8-16-13)17-10-6-4-5-9(2)7-10/h4-8H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 244.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19148280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).