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

C8H10N4O3 — CID 25421423

IUPAC4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
SMILESC=CCOc1nc(N)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O3/c1-3-4-15-7-6(12(13)14)5(2)10-8(9)11-7/h3H,1,4H2,2H3,(H2,9,10,11)
InChIKeyKJYPTSJTOMHAPQ-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.84
Rot. Bonds4

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

4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine (PubChem CID 25421423) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
PubChem CID25421423
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
SMILESC=CCOc1nc(N)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O3/c1-3-4-15-7-6(12(13)14)5(2)10-8(9)11-7/h3H,1,4H2,2H3,(H2,9,10,11)
InChIKeyKJYPTSJTOMHAPQ-UHFFFAOYSA-N
XLogP0.84
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.84
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

N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
CID 114044853
4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine
CID 106207578
5-nitro-6-prop-2-enoxypyrimidin-4-amine
CID 80868030
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
CID 114044293
4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine
CID 114044198
2,6-dimethyl-5-nitropyridine-3,4-diamine
CID 18715461
2-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454928
4-N-hexyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 114044764
6-(cyclohexylmethoxy)-5-nitropyrimidine-2,4-diamine
CID 46221685
4-N,6-dimethyl-5-nitro-4-N-pentylpyrimidine-2,4-diamine
CID 114044299
6-but-3-enoxy-5-nitropyrimidin-4-amine
CID 80861263
4-N,6-dimethyl-4-N-(2-methylbutyl)-5-nitropyrimidine-2,4-diamine
CID 114044301

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine (CID 25421423) is 4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine is C=CCOc1nc(N)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine?
The InChIKey is KJYPTSJTOMHAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-3-4-15-7-6(12(13)14)5(2)10-8(9)11-7/h3H,1,4H2,2H3,(H2,9,10,11).
What are the key properties of 4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine?
4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine has a molecular weight of 210.19 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine is sourced from PubChem (CID 25421423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).