6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine

C10H8Cl2N4O — CID 820043

IUPAC6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc(Cl)cc2Cl)nc(N)n1
InChIInChI=1S/C10H8Cl2N4O/c11-5-1-2-7(6(12)3-5)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16)
InChIKeyJCKMRGRBJIGNON-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.74
Rot. Bonds2

About 6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine

6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine (PubChem CID 820043) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine
PubChem CID820043
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc(Cl)cc2Cl)nc(N)n1
InChIInChI=1S/C10H8Cl2N4O/c11-5-1-2-7(6(12)3-5)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16)
InChIKeyJCKMRGRBJIGNON-UHFFFAOYSA-N
XLogP2.74
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine (CID 820043) is 6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine is Nc1cc(Oc2ccc(Cl)cc2Cl)nc(N)n1.
What is the InChIKey of 6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine?
The InChIKey is JCKMRGRBJIGNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c11-5-1-2-7(6(12)3-5)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16).
What are the key properties of 6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine?
6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine has a molecular weight of 271.11 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 820043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).