5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine

C11H10Cl2N4O — CID 516672

IUPAC5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine
SMILESNc1ncc(OCc2ccc(Cl)c(Cl)c2)c(N)n1
InChIInChI=1S/C11H10Cl2N4O/c12-7-2-1-6(3-8(7)13)5-18-9-4-16-11(15)17-10(9)14/h1-4H,5H2,(H4,14,15,16,17)
InChIKeyMNXITWCAPZPGKN-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.53
Rot. Bonds3

About 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine

5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine (PubChem CID 516672) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine
PubChem CID516672
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine
SMILESNc1ncc(OCc2ccc(Cl)c(Cl)c2)c(N)n1
InChIInChI=1S/C11H10Cl2N4O/c12-7-2-1-6(3-8(7)13)5-18-9-4-16-11(15)17-10(9)14/h1-4H,5H2,(H4,14,15,16,17)
InChIKeyMNXITWCAPZPGKN-UHFFFAOYSA-N
XLogP2.53
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine (CID 516672) is 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine is Nc1ncc(OCc2ccc(Cl)c(Cl)c2)c(N)n1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine?
The InChIKey is MNXITWCAPZPGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-7-2-1-6(3-8(7)13)5-18-9-4-16-11(15)17-10(9)14/h1-4H,5H2,(H4,14,15,16,17).
What are the key properties of 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine?
5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine has a molecular weight of 285.13 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 516672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).