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

C14H16N4O5 — CID 22534878

IUPACN-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
SMILESCOCCNc1ncnc(Oc2ccccc2OC)c1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O5/c1-21-8-7-15-13-12(18(19)20)14(17-9-16-13)23-11-6-4-3-5-10(11)22-2/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyDKFQQFDYGBSOBB-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.24
Rot. Bonds8

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

N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine (PubChem CID 22534878) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
PubChem CID22534878
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC NameN-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
SMILESCOCCNc1ncnc(Oc2ccccc2OC)c1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O5/c1-21-8-7-15-13-12(18(19)20)14(17-9-16-13)23-11-6-4-3-5-10(11)22-2/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyDKFQQFDYGBSOBB-UHFFFAOYSA-N
XLogP2.24
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.24
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

N-(3-methoxypropyl)-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine
CID 22526563
N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454625
6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 22531140
6-N-butyl-4-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine
CID 23486771
N-(2,4-dimethylphenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22525693
6-N-(2-methoxyethyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 22531057
4-fluoro-N'-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535593
6-(2-methoxyethoxy)-5-nitro-N-pentylpyrimidin-4-amine
CID 82455140
6-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22528115
4-N,4-N-dibenzyl-6-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine
CID 23488361
N-(3-chloro-2-methylphenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 23484110
6-(2-methoxyethoxy)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 82455146

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine (CID 22534878) is N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine is COCCNc1ncnc(Oc2ccccc2OC)c1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine?
The InChIKey is DKFQQFDYGBSOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-21-8-7-15-13-12(18(19)20)14(17-9-16-13)23-11-6-4-3-5-10(11)22-2/h3-6,9H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine?
N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine has a molecular weight of 320.31 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22534878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).