4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine

C12H12N4O3 — CID 57435898

IUPAC4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine
SMILESCOc1ccnc(Nc2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C12H12N4O3/c1-8-3-4-9(16(17)18)7-10(8)14-12-13-6-5-11(15-12)19-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyFHSDXWLIVMCKOA-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.45
Rot. Bonds4

About 4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine

4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine (PubChem CID 57435898) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine
PubChem CID57435898
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine
SMILESCOc1ccnc(Nc2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C12H12N4O3/c1-8-3-4-9(16(17)18)7-10(8)14-12-13-6-5-11(15-12)19-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyFHSDXWLIVMCKOA-UHFFFAOYSA-N
XLogP2.45
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.45
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

4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80878871
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide
CID 90573880
6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 86061071
4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitroaniline
CID 170118098
5-methoxy-2-(2-methyl-5-nitroanilino)benzoic acid
CID 18505064
tert-butyl N-[2-(5-amino-2-methylanilino)pyrimidin-4-yl]-N-(5-methyl-1H-pyrazol-3-yl)carbamate;tert-butyl N-[2-(2-methyl-5-nitroanilino)pyrimidin-4-yl]-N-(5-methyl-1H-pyrazol-3-yl)carbamate;methanol
CID 161072830
N-(2-methyl-5-nitro-3-pyridinyl)-4-phenylpyrimidin-2-amine
CID 66957994
N-(2-methyl-5-nitrophenyl)-5-phenyl-1H-imidazol-2-amine
CID 24971010
2-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]-5-nitroaniline
CID 62747520
2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine
CID 116797824
N-(2-methyl-5-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 142006944

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine (CID 57435898) is 4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine is COc1ccnc(Nc2cc([N+](=O)[O-])ccc2C)n1.
What is the InChIKey of 4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine?
The InChIKey is FHSDXWLIVMCKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-8-3-4-9(16(17)18)7-10(8)14-12-13-6-5-11(15-12)19-2/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine?
4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine has a molecular weight of 260.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine is sourced from PubChem (CID 57435898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).