4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine

C10H10Cl2N4 — CID 95732740

IUPAC4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine
SMILESCCn1cc(-c2nc(Cl)cc(CCl)n2)cn1
InChIInChI=1S/C10H10Cl2N4/c1-2-16-6-7(5-13-16)10-14-8(4-11)3-9(12)15-10/h3,5-6H,2,4H2,1H3
InChIKeyLAYPIMVYCKKSGF-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.75
Rot. Bonds3

About 4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine

4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine (PubChem CID 95732740) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is 4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine
PubChem CID95732740
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine
SMILESCCn1cc(-c2nc(Cl)cc(CCl)n2)cn1
InChIInChI=1S/C10H10Cl2N4/c1-2-16-6-7(5-13-16)10-14-8(4-11)3-9(12)15-10/h3,5-6H,2,4H2,1H3
InChIKeyLAYPIMVYCKKSGF-UHFFFAOYSA-N
XLogP2.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.75
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-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572477
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine
CID 103570147
4-chloro-2-ethyl-6-(1-ethylpyrazol-4-yl)-5-methylpyrimidine
CID 80975287
5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 103570166
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole
CID 19621326
2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570532
1-[2-chloro-4-(1-ethylpyrazol-4-yl)phenyl]ethanamine
CID 82783612
5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
CID 103570563

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine (CID 95732740) is 4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine is CCn1cc(-c2nc(Cl)cc(CCl)n2)cn1.
What is the InChIKey of 4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine?
The InChIKey is LAYPIMVYCKKSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c1-2-16-6-7(5-13-16)10-14-8(4-11)3-9(12)15-10/h3,5-6H,2,4H2,1H3.
What are the key properties of 4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine?
4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine has a molecular weight of 257.12 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 95732740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).