4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine

C8H6Cl2N4 — CID 107085658

IUPAC4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine
SMILESClCc1c(Cl)ncnc1-n1cccn1
InChIInChI=1S/C8H6Cl2N4/c9-4-6-7(10)11-5-12-8(6)14-3-1-2-13-14/h1-3,5H,4H2
InChIKeyOGPLKCUQWFRGPP-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.05
Rot. Bonds2

About 4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine

4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine (PubChem CID 107085658) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine
PubChem CID107085658
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine
SMILESClCc1c(Cl)ncnc1-n1cccn1
InChIInChI=1S/C8H6Cl2N4/c9-4-6-7(10)11-5-12-8(6)14-3-1-2-13-14/h1-3,5H,4H2
InChIKeyOGPLKCUQWFRGPP-UHFFFAOYSA-N
XLogP2.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 80853317
5-(chloromethyl)-3-methyl-2-pyrazol-1-ylpyridine
CID 80629454
4-pyrazol-1-ylpyrido[2,3-d]pyrimidine
CID 110435911
5-pyrazol-1-yl-1,2,4-thiadiazole
CID 65277359
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 64781989
9-decyl-6-pyrazol-1-ylpurine
CID 118709433
4-[(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)amino]butanoic acid
CID 122058549
(2-chloro-6-pyrazol-1-ylphenyl)methanamine
CID 28965390
sodium 3-chloro-2-pyrazol-1-ylpyridine-4-thiolate
CID 164860279
4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole
CID 71668962
2-methyl-3-pyrazol-1-ylpyrazine
CID 83066223
4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365798

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine (CID 107085658) is 4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine is ClCc1c(Cl)ncnc1-n1cccn1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine?
The InChIKey is OGPLKCUQWFRGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c9-4-6-7(10)11-5-12-8(6)14-3-1-2-13-14/h1-3,5H,4H2.
What are the key properties of 4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine?
4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine has a molecular weight of 229.07 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 107085658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).