6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine

C10H16N4O5 — CID 82457018

IUPAC6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
SMILESCOCCNc1nc(COC)nc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O5/c1-17-5-4-11-9-8(14(15)16)10(19-3)13-7(12-9)6-18-2/h4-6H2,1-3H3,(H,11,12,13)
InChIKeyORIXVYFHHMWROD-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.60
Rot. Bonds8

About 6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine

6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine (PubChem CID 82457018) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
PubChem CID82457018
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
SMILESCOCCNc1nc(COC)nc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O5/c1-17-5-4-11-9-8(14(15)16)10(19-3)13-7(12-9)6-18-2/h4-6H2,1-3H3,(H,11,12,13)
InChIKeyORIXVYFHHMWROD-UHFFFAOYSA-N
XLogP0.60
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-tert-butyl-6-methoxy-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 82456953
N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457012
N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82458138
2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82457049
2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82458912
methyl 2,6-bis(2-methoxyethylamino)-5-nitropyrimidine-4-carboxylate
CID 122154365
N-(6-methoxy-2-methyl-5-nitropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454682
6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82454684
6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 82459022
N-butyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454935
6-butoxy-N-butyl-2-ethyl-5-nitropyrimidin-4-amine
CID 82455056
N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22534878

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine (CID 82457018) is 6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine is COCCNc1nc(COC)nc(OC)c1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine?
The InChIKey is ORIXVYFHHMWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5/c1-17-5-4-11-9-8(14(15)16)10(19-3)13-7(12-9)6-18-2/h4-6H2,1-3H3,(H,11,12,13).
What are the key properties of 6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine?
6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine has a molecular weight of 272.26 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82457018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).