2-(dichloromethyl)pyrimidine

C5H4Cl2N2 — CID 68554638

IUPAC2-(dichloromethyl)pyrimidine
SMILESClC(Cl)c1ncccn1
InChIInChI=1S/C5H4Cl2N2/c6-4(7)5-8-2-1-3-9-5/h1-4H
InChIKeyZSMCTJFHKRMYPC-UHFFFAOYSA-N
MW163.01 g/mol
LogP1.95
Rot. Bonds1

About 2-(dichloromethyl)pyrimidine

2-(dichloromethyl)pyrimidine (PubChem CID 68554638) has the molecular formula C5H4Cl2N2 and a molecular weight of 163.01 g/mol. Its IUPAC name is 2-(dichloromethyl)pyrimidine.

Molecular Properties

Compound Name2-(dichloromethyl)pyrimidine
PubChem CID68554638
Molecular FormulaC5H4Cl2N2
Molecular Weight163.01 g/mol
Exact Mass161.98
IUPAC Name2-(dichloromethyl)pyrimidine
SMILESClC(Cl)c1ncccn1
InChIInChI=1S/C5H4Cl2N2/c6-4(7)5-8-2-1-3-9-5/h1-4H
InChIKeyZSMCTJFHKRMYPC-UHFFFAOYSA-N
XLogP1.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.01
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
2-(3-methylbutan-2-yl)pyrimidine
CID 139342310
fluoromethane;2-propan-2-ylpyrimidine
CID 161216719
(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
CID 146680703
2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine
CID 114552930
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]pyrimidine
CID 114552967
2-[(1S)-1-bromopropyl]pyrimidine
CID 124635355
2-pyrimidin-2-yl-2-sulfanylacetaldehyde
CID 57083752
2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine
CID 68761664
2-(dichloromethyl)-3-methoxypyridine
CID 141354456
2-(dichloromethyl)pyridine-3-carbonitrile
CID 86039056
3-pyrimidin-2-ylbutan-2-one
CID 63197013

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)pyrimidine?
The IUPAC name of 2-(dichloromethyl)pyrimidine (CID 68554638) is 2-(dichloromethyl)pyrimidine.
What is the SMILES notation for 2-(dichloromethyl)pyrimidine?
The canonical SMILES for 2-(dichloromethyl)pyrimidine is ClC(Cl)c1ncccn1.
What is the InChIKey of 2-(dichloromethyl)pyrimidine?
The InChIKey is ZSMCTJFHKRMYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2/c6-4(7)5-8-2-1-3-9-5/h1-4H.
What are the key properties of 2-(dichloromethyl)pyrimidine?
2-(dichloromethyl)pyrimidine has a molecular weight of 163.01 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)pyrimidine is sourced from PubChem (CID 68554638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).