2,4-dichloro-6-methyl-5-nitropyrimidine

C10H6Cl4N6O4 — CID 131668662

IUPAC2,4-dichloro-6-methyl-5-nitropyrimidine
SMILESCc1nc(Cl)nc(Cl)c1[N+](=O)[O-].Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/2C5H3Cl2N3O2/c2*1-2-3(10(11)12)4(6)9-5(7)8-2/h2*1H3
InChIKeyQBXDTZBTKXKGST-UHFFFAOYSA-N
MW416.01 g/mol
LogP4.00
Rot. Bonds2

About 2,4-dichloro-6-methyl-5-nitropyrimidine

2,4-dichloro-6-methyl-5-nitropyrimidine (PubChem CID 131668662) has the molecular formula C10H6Cl4N6O4 and a molecular weight of 416.01 g/mol. Its IUPAC name is 2,4-dichloro-6-methyl-5-nitropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-methyl-5-nitropyrimidine
PubChem CID131668662
Molecular FormulaC10H6Cl4N6O4
Molecular Weight416.01 g/mol
Exact Mass413.92
IUPAC Name2,4-dichloro-6-methyl-5-nitropyrimidine
SMILESCc1nc(Cl)nc(Cl)c1[N+](=O)[O-].Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/2C5H3Cl2N3O2/c2*1-2-3(10(11)12)4(6)9-5(7)8-2/h2*1H3
InChIKeyQBXDTZBTKXKGST-UHFFFAOYSA-N
XLogP4.00
TPSA137.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.01
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-methoxy-6-methyl-5-nitropyrimidine;ethane
CID 142192170
1-(2,6-dichloro-5-nitropyrimidin-4-yl)ethanone
CID 118969676
4-chloro-6-methyl-5-nitro-2-propylsulfanylpyrimidine
CID 90395890
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine
CID 114044381
2,4-dichloro-6-cyclopropyl-5-nitropyrimidine
CID 24903888
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
2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 114043145
2-chloro-4-(4-fluorophenyl)sulfanyl-6-methyl-5-nitropyrimidine
CID 114044406
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
CID 114044293
2-[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]ethanesulfonamide
CID 114043161
2-chloro-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
CID 18801452

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methyl-5-nitropyrimidine?
The IUPAC name of 2,4-dichloro-6-methyl-5-nitropyrimidine (CID 131668662) is 2,4-dichloro-6-methyl-5-nitropyrimidine.
What is the SMILES notation for 2,4-dichloro-6-methyl-5-nitropyrimidine?
The canonical SMILES for 2,4-dichloro-6-methyl-5-nitropyrimidine is Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-].Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2,4-dichloro-6-methyl-5-nitropyrimidine?
The InChIKey is QBXDTZBTKXKGST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H3Cl2N3O2/c2*1-2-3(10(11)12)4(6)9-5(7)8-2/h2*1H3.
What are the key properties of 2,4-dichloro-6-methyl-5-nitropyrimidine?
2,4-dichloro-6-methyl-5-nitropyrimidine has a molecular weight of 416.01 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methyl-5-nitropyrimidine is sourced from PubChem (CID 131668662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).