4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine

C14H18N4O — CID 80763275

IUPAC4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(NC)ncc1C
InChIInChI=1S/C14H18N4O/c1-4-19-12-8-6-5-7-11(12)17-13-10(2)9-16-14(15-3)18-13/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyBRUCNHMYGKWEFF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.97
Rot. Bonds5

About 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine

4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80763275) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80763275
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(NC)ncc1C
InChIInChI=1S/C14H18N4O/c1-4-19-12-8-6-5-7-11(12)17-13-10(2)9-16-14(15-3)18-13/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyBRUCNHMYGKWEFF-UHFFFAOYSA-N
XLogP2.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-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

4-N-[2-(difluoromethoxy)phenyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80754579
ethyl 2-methyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 90923584
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80759868
4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80789513
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80762592
4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80763275) is 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine is CCOc1ccccc1Nc1nc(NC)ncc1C.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is BRUCNHMYGKWEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-19-12-8-6-5-7-11(12)17-13-10(2)9-16-14(15-3)18-13/h5-9H,4H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80763275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).