4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine

C10H7ClN4O3 — CID 676674

IUPAC4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C10H7ClN4O3/c11-8-5-9(14-10(12)13-8)18-7-3-1-6(2-4-7)15(16)17/h1-5H,(H2,12,13,14)
InChIKeyCNGBOEGNSIDQBQ-UHFFFAOYSA-N
MW266.64 g/mol
LogP2.41
Rot. Bonds3

About 4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine

4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine (PubChem CID 676674) has the molecular formula C10H7ClN4O3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine
PubChem CID676674
Molecular FormulaC10H7ClN4O3
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C10H7ClN4O3/c11-8-5-9(14-10(12)13-8)18-7-3-1-6(2-4-7)15(16)17/h1-5H,(H2,12,13,14)
InChIKeyCNGBOEGNSIDQBQ-UHFFFAOYSA-N
XLogP2.41
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine (CID 676674) is 4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine is Nc1nc(Cl)cc(Oc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is CNGBOEGNSIDQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3/c11-8-5-9(14-10(12)13-8)18-7-3-1-6(2-4-7)15(16)17/h1-5H,(H2,12,13,14).
What are the key properties of 4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine?
4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 266.64 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 676674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).