(2,5-dichloropyrimidin-4-yl)oxidanium

C4H3Cl2N2O+ — CID 144945544

IUPAC(2,5-dichloropyrimidin-4-yl)oxidanium
SMILES[OH2+]c1nc(Cl)ncc1Cl
InChIInChI=1S/C4H2Cl2N2O/c5-2-1-7-4(6)8-3(2)9/h1H,(H,7,8,9)/p+1
InChIKeyBFXPUIUKFVPUKI-UHFFFAOYSA-O
MW165.99 g/mol
LogP1.22
Rot. Bonds

About (2,5-dichloropyrimidin-4-yl)oxidanium

(2,5-dichloropyrimidin-4-yl)oxidanium (PubChem CID 144945544) has the molecular formula C4H3Cl2N2O+ and a molecular weight of 165.99 g/mol. Its IUPAC name is (2,5-dichloropyrimidin-4-yl)oxidanium.

Molecular Properties

Compound Name(2,5-dichloropyrimidin-4-yl)oxidanium
PubChem CID144945544
Molecular FormulaC4H3Cl2N2O+
Molecular Weight165.99 g/mol
Exact Mass164.96
IUPAC Name(2,5-dichloropyrimidin-4-yl)oxidanium
SMILES[OH2+]c1nc(Cl)ncc1Cl
InChIInChI=1S/C4H2Cl2N2O/c5-2-1-7-4(6)8-3(2)9/h1H,(H,7,8,9)/p+1
InChIKeyBFXPUIUKFVPUKI-UHFFFAOYSA-O
XLogP1.22
TPSA48.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.99
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-4-ethenylpyrimidine
CID 118417789
2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 79631967
2,5-dichloro-N-methoxypyrimidin-4-amine
CID 135137744
tert-butyl-(2,5-dichloropyrimidin-4-yl)tin
CID 169089965
2,5-dichloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79632100
2,5-dichloro-4-prop-2-ynoxypyrimidine
CID 79632254
2,5-dichloro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79632221
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
1-(2,5-dichloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 79632687
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
CID 87330140
2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine
CID 158566394
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloropyrimidin-4-yl)oxidanium?
The IUPAC name of (2,5-dichloropyrimidin-4-yl)oxidanium (CID 144945544) is (2,5-dichloropyrimidin-4-yl)oxidanium.
What is the SMILES notation for (2,5-dichloropyrimidin-4-yl)oxidanium?
The canonical SMILES for (2,5-dichloropyrimidin-4-yl)oxidanium is [OH2+]c1nc(Cl)ncc1Cl.
What is the InChIKey of (2,5-dichloropyrimidin-4-yl)oxidanium?
The InChIKey is BFXPUIUKFVPUKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H2Cl2N2O/c5-2-1-7-4(6)8-3(2)9/h1H,(H,7,8,9)/p+1.
What are the key properties of (2,5-dichloropyrimidin-4-yl)oxidanium?
(2,5-dichloropyrimidin-4-yl)oxidanium has a molecular weight of 165.99 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloropyrimidin-4-yl)oxidanium is sourced from PubChem (CID 144945544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).