4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline

C11H9ClN4O2 — CID 118136234

IUPAC4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline
SMILESCc1cc(Oc2cc(Cl)ncn2)cc(N=O)c1N
InChIInChI=1S/C11H9ClN4O2/c1-6-2-7(3-8(16-17)11(6)13)18-10-4-9(12)14-5-15-10/h2-5H,13H2,1H3
InChIKeyNVTGRXNLANCTOC-UHFFFAOYSA-N
MW264.67 g/mol
LogP3.21
Rot. Bonds3

About 4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline

4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline (PubChem CID 118136234) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline.

Molecular Properties

Compound Name4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline
PubChem CID118136234
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline
SMILESCc1cc(Oc2cc(Cl)ncn2)cc(N=O)c1N
InChIInChI=1S/C11H9ClN4O2/c1-6-2-7(3-8(16-17)11(6)13)18-10-4-9(12)14-5-15-10/h2-5H,13H2,1H3
InChIKeyNVTGRXNLANCTOC-UHFFFAOYSA-N
XLogP3.21
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline?
The IUPAC name of 4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline (CID 118136234) is 4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline.
What is the SMILES notation for 4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline?
The canonical SMILES for 4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline is Cc1cc(Oc2cc(Cl)ncn2)cc(N=O)c1N.
What is the InChIKey of 4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline?
The InChIKey is NVTGRXNLANCTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c1-6-2-7(3-8(16-17)11(6)13)18-10-4-9(12)14-5-15-10/h2-5H,13H2,1H3.
What are the key properties of 4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline?
4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline has a molecular weight of 264.67 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrimidin-4-yl)oxy-2-methyl-6-nitrosoaniline is sourced from PubChem (CID 118136234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).