6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine

C12H12N4O3 — CID 80654595

IUPAC6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(COc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H12N4O3/c1-8-6-11(13)15-12(14-8)7-19-10-5-3-2-4-9(10)16(17)18/h2-6H,7H2,1H3,(H2,13,14,15)
InChIKeyIAOQWCZWMBRKOQ-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.85
Rot. Bonds4

About 6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine

6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine (PubChem CID 80654595) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine
PubChem CID80654595
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(COc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H12N4O3/c1-8-6-11(13)15-12(14-8)7-19-10-5-3-2-4-9(10)16(17)18/h2-6H,7H2,1H3,(H2,13,14,15)
InChIKeyIAOQWCZWMBRKOQ-UHFFFAOYSA-N
XLogP1.85
TPSA104.17 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 ≤ 51.85
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-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656024
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
2-[(2,6-dichloro-4-nitrophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80664200
6-(2-nitrophenoxy)-2-propylpyrimidin-4-amine
CID 80950579
N,6-dimethyl-2-[(3-methyl-2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80664084
[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259014
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80655014
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide
CID 22083452
6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one
CID 57009311
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine (CID 80654595) is 6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine is Cc1cc(N)nc(COc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine?
The InChIKey is IAOQWCZWMBRKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-8-6-11(13)15-12(14-8)7-19-10-5-3-2-4-9(10)16(17)18/h2-6H,7H2,1H3,(H2,13,14,15).
What are the key properties of 6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine?
6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine has a molecular weight of 260.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80654595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).