6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine

C10H7Cl2N5O3 — CID 80873263

IUPAC6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)nc(N)n1
InChIInChI=1S/C10H7Cl2N5O3/c11-5-1-4(17(18)19)2-6(12)9(5)20-8-3-7(13)15-10(14)16-8/h1-3H,(H4,13,14,15,16)
InChIKeyXQATWDBFKPSDIP-UHFFFAOYSA-N
MW316.10 g/mol
LogP2.65
Rot. Bonds3

About 6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine

6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine (PubChem CID 80873263) has the molecular formula C10H7Cl2N5O3 and a molecular weight of 316.10 g/mol. Its IUPAC name is 6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine
PubChem CID80873263
Molecular FormulaC10H7Cl2N5O3
Molecular Weight316.10 g/mol
Exact Mass314.99
IUPAC Name6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)nc(N)n1
InChIInChI=1S/C10H7Cl2N5O3/c11-5-1-4(17(18)19)2-6(12)9(5)20-8-3-7(13)15-10(14)16-8/h1-3H,(H4,13,14,15,16)
InChIKeyXQATWDBFKPSDIP-UHFFFAOYSA-N
XLogP2.65
TPSA130.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
CID 80740183
4-chloro-6-(2,6-dichloro-4-nitrophenoxy)-2-methylsulfanylpyrimidine
CID 80542312
2-chloro-6-(2,6-dichloro-4-nitrophenoxy)pyrazine
CID 62097953
6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80871675
4-(2,6-dichloro-4-nitrophenoxy)aniline
CID 106891919
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
2-[(2,6-dichloro-4-nitrophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80664200
2,6-dichloro-4-nitroaniline;molecular chlorine
CID 20849384
5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733335
6-(2-chloro-5-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80942269
4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloropyrimidin-2-amine
CID 80738864

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine (CID 80873263) is 6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine is Nc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)nc(N)n1.
What is the InChIKey of 6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine?
The InChIKey is XQATWDBFKPSDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N5O3/c11-5-1-4(17(18)19)2-6(12)9(5)20-8-3-7(13)15-10(14)16-8/h1-3H,(H4,13,14,15,16).
What are the key properties of 6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine?
6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine has a molecular weight of 316.10 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80873263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).