N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine

C11H18N4O4 — CID 82454625

IUPACN-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
SMILESCOCCNc1ncnc(OCC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O4/c1-8(2)6-19-11-9(15(16)17)10(13-7-14-11)12-4-5-18-3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyYLOJCCRYSWOPDS-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.48
Rot. Bonds8

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

N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine (PubChem CID 82454625) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
PubChem CID82454625
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC NameN-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
SMILESCOCCNc1ncnc(OCC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O4/c1-8(2)6-19-11-9(15(16)17)10(13-7-14-11)12-4-5-18-3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyYLOJCCRYSWOPDS-UHFFFAOYSA-N
XLogP1.48
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6-(2-methoxyethoxy)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 82455146
6-(2-methylpropoxy)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454610
N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22534878
2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82458912
6-(2-methoxyethoxy)-5-nitro-N-pentylpyrimidin-4-amine
CID 82455140
6-N-butyl-4-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine
CID 23486771
6-(2,2-difluoroethoxy)-5-nitro-N-propylpyrimidin-4-amine
CID 82008983
6-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22528115
5-nitro-6-propoxy-N-propylpyrimidin-4-amine
CID 80866918
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 80860362
4-N-(3-methoxy-2-methylpropyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80816301
4-N-[2-(2-methoxyethoxy)ethyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80793151

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine (CID 82454625) is N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine is COCCNc1ncnc(OCC(C)C)c1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
The InChIKey is YLOJCCRYSWOPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-8(2)6-19-11-9(15(16)17)10(13-7-14-11)12-4-5-18-3/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine has a molecular weight of 270.29 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82454625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).