6-methoxy-2-methyl-5-nitropyrimidin-4-amine

C6H8N4O3 — CID 82454704

IUPAC6-methoxy-2-methyl-5-nitropyrimidin-4-amine
SMILESCOc1nc(C)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O3/c1-3-8-5(7)4(10(11)12)6(9-3)13-2/h1-2H3,(H2,7,8,9)
InChIKeyLNMSHVDKLWANQY-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.28
Rot. Bonds2

About 6-methoxy-2-methyl-5-nitropyrimidin-4-amine

6-methoxy-2-methyl-5-nitropyrimidin-4-amine (PubChem CID 82454704) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 6-methoxy-2-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-5-nitropyrimidin-4-amine
PubChem CID82454704
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name6-methoxy-2-methyl-5-nitropyrimidin-4-amine
SMILESCOc1nc(C)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O3/c1-3-8-5(7)4(10(11)12)6(9-3)13-2/h1-2H3,(H2,7,8,9)
InChIKeyLNMSHVDKLWANQY-UHFFFAOYSA-N
XLogP0.28
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.28
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

2-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454928
2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454741
2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine
CID 3311824
6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82454687
N-cyclohexyl-6-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454688
N-(6-methoxy-2-methyl-5-nitropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454682
6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82454684
4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 21239200
2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane
CID 142192170
1-(4,6-dimethoxy-5-nitropyrimidin-2-yl)propan-2-one
CID 1422983
tert-butyl N-(2,6-dimethyl-5-nitropyrimidin-4-yl)carbamate;2,6-dimethyl-5-nitropyrimidin-4-amine
CID 160861792
2-methoxy-4,5-dimethyl-3-nitropyridine
CID 118881791

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-5-nitropyrimidin-4-amine (CID 82454704) is 6-methoxy-2-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-5-nitropyrimidin-4-amine is COc1nc(C)nc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-2-methyl-5-nitropyrimidin-4-amine?
The InChIKey is LNMSHVDKLWANQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-3-8-5(7)4(10(11)12)6(9-3)13-2/h1-2H3,(H2,7,8,9).
What are the key properties of 6-methoxy-2-methyl-5-nitropyrimidin-4-amine?
6-methoxy-2-methyl-5-nitropyrimidin-4-amine has a molecular weight of 184.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82454704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).