2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine

C12H20N4O4 — CID 82457049

IUPAC2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine
SMILESCCCOc1nc(COC)nc(NC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O4/c1-5-6-20-12-10(16(17)18)11(13-8(2)3)14-9(15-12)7-19-4/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyJCBOCGLEIBICBU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.14
Rot. Bonds8

About 2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine

2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine (PubChem CID 82457049) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine
PubChem CID82457049
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine
SMILESCCCOc1nc(COC)nc(NC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O4/c1-5-6-20-12-10(16(17)18)11(13-8(2)3)14-9(15-12)7-19-4/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyJCBOCGLEIBICBU-UHFFFAOYSA-N
XLogP2.14
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82458183
6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454800
N-butyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454935
N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454945
2-(2-methylpropyl)-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82458177
2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 82455103
6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457018
N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457012
2-ethyl-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82454936
2-butyl-6-ethoxy-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 21445078
2-cyclohexyl-N-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82458454
6-butoxy-N-butyl-2-ethyl-5-nitropyrimidin-4-amine
CID 82455056

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine (CID 82457049) is 2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine is CCCOc1nc(COC)nc(NC(C)C)c1[N+](=O)[O-].
What is the InChIKey of 2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine?
The InChIKey is JCBOCGLEIBICBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-5-6-20-12-10(16(17)18)11(13-8(2)3)14-9(15-12)7-19-4/h8H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine?
2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine has a molecular weight of 284.32 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82457049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).