5-nitro-6-prop-2-enoxypyrimidin-4-amine

C7H8N4O3 — CID 80868030

IUPAC5-nitro-6-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H8N4O3/c1-2-3-14-7-5(11(12)13)6(8)9-4-10-7/h2,4H,1,3H2,(H2,8,9,10)
InChIKeyNFGIEJFZEJVUJG-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.53
Rot. Bonds4

About 5-nitro-6-prop-2-enoxypyrimidin-4-amine

5-nitro-6-prop-2-enoxypyrimidin-4-amine (PubChem CID 80868030) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 5-nitro-6-prop-2-enoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-6-prop-2-enoxypyrimidin-4-amine
PubChem CID80868030
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name5-nitro-6-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H8N4O3/c1-2-3-14-7-5(11(12)13)6(8)9-4-10-7/h2,4H,1,3H2,(H2,8,9,10)
InChIKeyNFGIEJFZEJVUJG-UHFFFAOYSA-N
XLogP0.53
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-but-3-enoxy-5-nitropyrimidin-4-amine
CID 80861263
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine
CID 104568154
4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
CID 25421423
5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80868547
5-nitro-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80860205
6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine
CID 80883095
6-(4-chloro-2,6-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 80862723
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
CID 3611764
4,6-bis(prop-2-enoxy)pyrimidine-5-sulfonamide
CID 19091288
6-[3-(methoxymethyl)phenoxy]-5-nitropyrimidin-4-amine
CID 80876502
6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
CID 80878552

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-prop-2-enoxypyrimidin-4-amine?
The IUPAC name of 5-nitro-6-prop-2-enoxypyrimidin-4-amine (CID 80868030) is 5-nitro-6-prop-2-enoxypyrimidin-4-amine.
What is the SMILES notation for 5-nitro-6-prop-2-enoxypyrimidin-4-amine?
The canonical SMILES for 5-nitro-6-prop-2-enoxypyrimidin-4-amine is C=CCOc1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-prop-2-enoxypyrimidin-4-amine?
The InChIKey is NFGIEJFZEJVUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c1-2-3-14-7-5(11(12)13)6(8)9-4-10-7/h2,4H,1,3H2,(H2,8,9,10).
What are the key properties of 5-nitro-6-prop-2-enoxypyrimidin-4-amine?
5-nitro-6-prop-2-enoxypyrimidin-4-amine has a molecular weight of 196.17 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-prop-2-enoxypyrimidin-4-amine is sourced from PubChem (CID 80868030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).