2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane

C8H12ClN3O3 — CID 142192170

IUPAC2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane
SMILESCC.COc1nc(Cl)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C6H6ClN3O3.C2H6/c1-3-4(10(11)12)5(13-2)9-6(7)8-3;1-2/h1-2H3;1-2H3
InChIKeyXCPRYOVASYPVBS-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.38
Rot. Bonds2

About 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane

2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane (PubChem CID 142192170) has the molecular formula C8H12ClN3O3 and a molecular weight of 233.66 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane
PubChem CID142192170
Molecular FormulaC8H12ClN3O3
Molecular Weight233.66 g/mol
Exact Mass233.06
IUPAC Name2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane
SMILESCC.COc1nc(Cl)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C6H6ClN3O3.C2H6/c1-3-4(10(11)12)5(13-2)9-6(7)8-3;1-2/h1-2H3;1-2H3
InChIKeyXCPRYOVASYPVBS-UHFFFAOYSA-N
XLogP2.38
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
CID 114044293
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
6-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454704
2-chloro-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
CID 18801452
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
ethane;methyl 2-[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-methylamino]-3-methylbutanoate
CID 153355454
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine
CID 114044381
1-[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-one
CID 86016058
2-chloro-N-(2-chloroprop-2-enyl)-6-methyl-5-nitropyrimidin-4-amine
CID 106195519
3-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)benzonitrile
CID 114044451
2-chloro-4-(4-fluorophenyl)sulfanyl-6-methyl-5-nitropyrimidine
CID 114044406
2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 114043145

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane?
The IUPAC name of 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane (CID 142192170) is 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane.
What is the SMILES notation for 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane?
The canonical SMILES for 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane is CC.COc1nc(Cl)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane?
The InChIKey is XCPRYOVASYPVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O3.C2H6/c1-3-4(10(11)12)5(13-2)9-6(7)8-3;1-2/h1-2H3;1-2H3.
What are the key properties of 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane?
2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane has a molecular weight of 233.66 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane is sourced from PubChem (CID 142192170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).