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

C12H12N4O3 — CID 80875823

IUPAC5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
SMILESCc1c(Oc2ncnc(N)c2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O3/c1-7-9(16(17)18)4-3-5-10(7)19-12-8(2)11(13)14-6-15-12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyMGYYCLVULHBOID-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.38
Rot. Bonds3

About 5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine

5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80875823) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
PubChem CID80875823
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
SMILESCc1c(Oc2ncnc(N)c2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O3/c1-7-9(16(17)18)4-3-5-10(7)19-12-8(2)11(13)14-6-15-12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyMGYYCLVULHBOID-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

5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420
6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 80873761
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
4-chloro-5-ethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63735054
4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 61277340
5-(2-methyl-3-nitrophenoxy)pyrazin-2-amine
CID 80663589
5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875910
3-(2-methyl-3-nitrophenoxy)-2-nitroaniline
CID 80875915
6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103013798
2-methyl-1-nitro-3-(trifluoromethoxy)benzene
CID 134621077
2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314
2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875828

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine (CID 80875823) is 5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine is Cc1c(Oc2ncnc(N)c2C)cccc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is MGYYCLVULHBOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-9(16(17)18)4-3-5-10(7)19-12-8(2)11(13)14-6-15-12/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine?
5-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 5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80875823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).