2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine

C10H14ClN3O5 — CID 114044293

IUPAC2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
SMILESCOCCOCCOc1nc(Cl)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O5/c1-7-8(14(15)16)9(13-10(11)12-7)19-6-5-18-4-3-17-2/h3-6H2,1-2H3
InChIKeyQOODGENZABMJTD-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.39
Rot. Bonds8

About 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine

2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine (PubChem CID 114044293) has the molecular formula C10H14ClN3O5 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine.

Molecular Properties

Compound Name2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
PubChem CID114044293
Molecular FormulaC10H14ClN3O5
Molecular Weight291.69 g/mol
Exact Mass291.06
IUPAC Name2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
SMILESCOCCOCCOc1nc(Cl)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O5/c1-7-8(14(15)16)9(13-10(11)12-7)19-6-5-18-4-3-17-2/h3-6H2,1-2H3
InChIKeyQOODGENZABMJTD-UHFFFAOYSA-N
XLogP1.39
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.39
H-Bond Donors ≤ 50
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

2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane
CID 142192170
6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
CID 104561286
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine
CID 104568154
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
2-chloro-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
CID 18801452
4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine
CID 106207578
2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 82455103
2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine
CID 23110960
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine
CID 104787050
4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine
CID 58278133
4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
CID 25421423
N-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 47983891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine?
The IUPAC name of 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine (CID 114044293) is 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine.
What is the SMILES notation for 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine?
The canonical SMILES for 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine is COCCOCCOc1nc(Cl)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine?
The InChIKey is QOODGENZABMJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O5/c1-7-8(14(15)16)9(13-10(11)12-7)19-6-5-18-4-3-17-2/h3-6H2,1-2H3.
What are the key properties of 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine?
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine has a molecular weight of 291.69 g/mol, XLogP of 1.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine is sourced from PubChem (CID 114044293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).