4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde

C8H4Cl2N4O — CID 130537634

IUPAC4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(-c2ncc[nH]2)nc1Cl
InChIInChI=1S/C8H4Cl2N4O/c9-5-4(3-15)6(10)14-8(13-5)7-11-1-2-12-7/h1-3H,(H,11,12)
InChIKeySDRDAFVFCCIONN-UHFFFAOYSA-N
MW243.05 g/mol
LogP1.99
Rot. Bonds2

About 4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde

4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde (PubChem CID 130537634) has the molecular formula C8H4Cl2N4O and a molecular weight of 243.05 g/mol. Its IUPAC name is 4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde
PubChem CID130537634
Molecular FormulaC8H4Cl2N4O
Molecular Weight243.05 g/mol
Exact Mass241.98
IUPAC Name4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(-c2ncc[nH]2)nc1Cl
InChIInChI=1S/C8H4Cl2N4O/c9-5-4(3-15)6(10)14-8(13-5)7-11-1-2-12-7/h1-3H,(H,11,12)
InChIKeySDRDAFVFCCIONN-UHFFFAOYSA-N
XLogP1.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(1H-imidazol-2-yl)pyrimidine
CID 22488102
4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-methylpyrimidine-5-carbaldehyde
CID 107780792
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
4-chloro-6-[2-(1H-imidazol-2-yl)ethylamino]-2-methylpyrimidine-5-carbaldehyde
CID 106196793
4-chloro-6-[3-(1H-imidazol-2-yl)propylamino]-2-methylpyrimidine-5-carbaldehyde
CID 114156824
3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole
CID 136789594
3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole
CID 137219999
2-(3,4,5-trichlorophenyl)-1H-imidazole
CID 143938570
4-fluoro-2-(1H-imidazol-2-yl)-5-methoxy-6-methylpyrimidine
CID 164660025
3-(1H-imidazol-2-yl)-2-methylpyridine
CID 59198842
2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
2-chloro-3-(1H-imidazol-2-yl)-4-phenylquinoline
CID 166438140

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde (CID 130537634) is 4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)nc(-c2ncc[nH]2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde?
The InChIKey is SDRDAFVFCCIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N4O/c9-5-4(3-15)6(10)14-8(13-5)7-11-1-2-12-7/h1-3H,(H,11,12).
What are the key properties of 4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde?
4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde has a molecular weight of 243.05 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1H-imidazol-2-yl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 130537634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).