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

C7H10N4O3 — CID 82454741

IUPAC2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
SMILESCCc1nc(N)c([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C7H10N4O3/c1-3-4-9-6(8)5(11(12)13)7(10-4)14-2/h3H2,1-2H3,(H2,8,9,10)
InChIKeySGCIBDYLZNBOCA-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.54
Rot. Bonds3

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

2-ethyl-6-methoxy-5-nitropyrimidin-4-amine (PubChem CID 82454741) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
PubChem CID82454741
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
SMILESCCc1nc(N)c([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C7H10N4O3/c1-3-4-9-6(8)5(11(12)13)7(10-4)14-2/h3H2,1-2H3,(H2,8,9,10)
InChIKeySGCIBDYLZNBOCA-UHFFFAOYSA-N
XLogP0.54
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.54
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-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454704
2-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 80988448
N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454720
1-(4,6-dimethoxy-5-nitropyrimidin-2-yl)propan-2-one
CID 1422983
2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine
CID 3311824
2-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454928
N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82458138
2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 82455103
2-chloro-6-ethyl-5-nitropyrimidin-4-amine
CID 131272646
6-(5-chloro-2-nitrophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80991124
2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine
CID 80989485
6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457018

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-5-nitropyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-methoxy-5-nitropyrimidin-4-amine (CID 82454741) is 2-ethyl-6-methoxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-methoxy-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-methoxy-5-nitropyrimidin-4-amine is CCc1nc(N)c([N+](=O)[O-])c(OC)n1.
What is the InChIKey of 2-ethyl-6-methoxy-5-nitropyrimidin-4-amine?
The InChIKey is SGCIBDYLZNBOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3-4-9-6(8)5(11(12)13)7(10-4)14-2/h3H2,1-2H3,(H2,8,9,10).
What are the key properties of 2-ethyl-6-methoxy-5-nitropyrimidin-4-amine?
2-ethyl-6-methoxy-5-nitropyrimidin-4-amine has a molecular weight of 198.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82454741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).