2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine

C12H12N4O3 — CID 80875828

IUPAC2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2cccc([N+](=O)[O-])c2C)n1
InChIInChI=1S/C12H12N4O3/c1-7-9(16(17)18)4-3-5-10(7)19-12-6-11(13)14-8(2)15-12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyQHBPOKVGJJPJJC-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.38
Rot. Bonds3

About 2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine

2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80875828) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
PubChem CID80875828
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2cccc([N+](=O)[O-])c2C)n1
InChIInChI=1S/C12H12N4O3/c1-7-9(16(17)18)4-3-5-10(7)19-12-6-11(13)14-8(2)15-12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyQHBPOKVGJJPJJC-UHFFFAOYSA-N
XLogP2.38
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.38
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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Related Compounds

6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80879991
6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80876831
5-(2-methyl-3-nitrophenoxy)pyrazin-2-amine
CID 80663589
6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 102703887
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
4-chloro-2,5-dimethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63734876
4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 61277340
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
6-(2-nitrophenoxy)-2-propylpyrimidin-4-amine
CID 80950579
3-(2-methyl-3-nitrophenoxy)-2-nitroaniline
CID 80875915
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
3-chloro-6-(2-methyl-3-nitrophenoxy)pyridazine
CID 54915539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine (CID 80875828) is 2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine is Cc1nc(N)cc(Oc2cccc([N+](=O)[O-])c2C)n1.
What is the InChIKey of 2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is QHBPOKVGJJPJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-9(16(17)18)4-3-5-10(7)19-12-6-11(13)14-8(2)15-12/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine?
2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 260.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80875828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).