6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine

C20H23N5O — CID 112866298

IUPAC6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C20H23N5O/c1-4-26-18-8-6-5-7-17(18)24-20-13-19(21-14-22-20)23-15-9-11-16(12-10-15)25(2)3/h5-14H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyGDKHEMWEVSGJRJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.43
Rot. Bonds7

About 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine

6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112866298) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112866298
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C20H23N5O/c1-4-26-18-8-6-5-7-17(18)24-20-13-19(21-14-22-20)23-15-9-11-16(12-10-15)25(2)3/h5-14H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyGDKHEMWEVSGJRJ-UHFFFAOYSA-N
XLogP4.43
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-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

6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112865234
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
methyl 2-[[6-(2-ethoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112866294
6-N-[4-(dimethylamino)phenyl]-4-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865180
6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358760
N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858656
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine (CID 112866298) is 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine is CCOc1ccccc1Nc1cc(Nc2ccc(N(C)C)cc2)ncn1.
What is the InChIKey of 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is GDKHEMWEVSGJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-26-18-8-6-5-7-17(18)24-20-13-19(21-14-22-20)23-15-9-11-16(12-10-15)25(2)3/h5-14H,4H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine?
6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 349.44 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112866298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).