6-ethoxy-N-methyl-5-nitropyrimidin-4-amine

C7H10N4O3 — CID 23486998

IUPAC6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
SMILESCCOc1ncnc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-3-14-7-5(11(12)13)6(8-2)9-4-10-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyNSQVSFFSEVDGIR-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.83
Rot. Bonds4

About 6-ethoxy-N-methyl-5-nitropyrimidin-4-amine

6-ethoxy-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 23486998) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
PubChem CID23486998
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
SMILESCCOc1ncnc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-3-14-7-5(11(12)13)6(8-2)9-4-10-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyNSQVSFFSEVDGIR-UHFFFAOYSA-N
XLogP0.83
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.83
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-heptoxy-N-methyl-5-nitropyrimidin-4-amine
CID 80861777
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 80860362
N-methyl-6-(3-methylbutoxy)-5-nitropyrimidin-4-amine
CID 80858601
N-methyl-6-[(2-methylpropan-2-yl)oxy]-5-nitropyrimidin-4-amine
CID 80861886
6-ethoxy-5-nitro-N-pyridin-4-ylpyrimidin-4-amine
CID 23482056
N-(6-ethoxy-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine
CID 22531713
6-ethoxy-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 23486597
N-[4-[(6-ethoxy-5-nitropyrimidin-4-yl)amino]phenyl]acetamide
CID 22537242
6-ethoxy-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22537253
dimethyl 5-[(6-ethoxy-5-nitropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
CID 23486391
6-(4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 2822070
6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine
CID 80858662

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-methyl-5-nitropyrimidin-4-amine (CID 23486998) is 6-ethoxy-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-methyl-5-nitropyrimidin-4-amine is CCOc1ncnc(NC)c1[N+](=O)[O-].
What is the InChIKey of 6-ethoxy-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is NSQVSFFSEVDGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3-14-7-5(11(12)13)6(8-2)9-4-10-7/h4H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 6-ethoxy-N-methyl-5-nitropyrimidin-4-amine?
6-ethoxy-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 198.18 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23486998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).