5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine

C15H18Cl2N4O2 — CID 23353546

IUPAC5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine
SMILESCCOC(OCC)c1nc(N)nc(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N4O2/c1-3-22-14(23-4-2)12-11(13(18)21-15(19)20-12)9-6-5-8(16)7-10(9)17/h5-7,14H,3-4H2,1-2H3,(H4,18,19,20,21)
InChIKeyZQHVIUBFQXQTTR-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.69
Rot. Bonds6

About 5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine

5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine (PubChem CID 23353546) has the molecular formula C15H18Cl2N4O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine
PubChem CID23353546
Molecular FormulaC15H18Cl2N4O2
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC Name5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine
SMILESCCOC(OCC)c1nc(N)nc(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N4O2/c1-3-22-14(23-4-2)12-11(13(18)21-15(19)20-12)9-6-5-8(16)7-10(9)17/h5-7,14H,3-4H2,1-2H3,(H4,18,19,20,21)
InChIKeyZQHVIUBFQXQTTR-UHFFFAOYSA-N
XLogP3.69
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine (CID 23353546) is 5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine is CCOC(OCC)c1nc(N)nc(N)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine?
The InChIKey is ZQHVIUBFQXQTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O2/c1-3-22-14(23-4-2)12-11(13(18)21-15(19)20-12)9-6-5-8(16)7-10(9)17/h5-7,14H,3-4H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine?
5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine has a molecular weight of 357.24 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 23353546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).