5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine

C12H12ClN3 — CID 107504527

IUPAC5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine
SMILESCc1cc(-c2ncc(CCl)cn2)cc(C)n1
InChIInChI=1S/C12H12ClN3/c1-8-3-11(4-9(2)16-8)12-14-6-10(5-13)7-15-12/h3-4,6-7H,5H2,1-2H3
InChIKeyRLUOZDSIQNDPSN-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.89
Rot. Bonds2

About 5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine

5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine (PubChem CID 107504527) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine
PubChem CID107504527
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine
SMILESCc1cc(-c2ncc(CCl)cn2)cc(C)n1
InChIInChI=1S/C12H12ClN3/c1-8-3-11(4-9(2)16-8)12-14-6-10(5-13)7-15-12/h3-4,6-7H,5H2,1-2H3
InChIKeyRLUOZDSIQNDPSN-UHFFFAOYSA-N
XLogP2.89
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine
CID 107502259
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine
CID 107502289
2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine
CID 82802858
5-methyl-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyrimidine
CID 157058783
5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine
CID 104807244
5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 19818152
2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 134618418
2-bromo-5-(chloromethyl)pyrimidine
CID 133054042
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine
CID 107502262
5-(chloromethyl)-2-(1-methylpyrazol-3-yl)pyrimidine
CID 65198161
3-chloro-5-(chloromethyl)-2-ethylpyridine
CID 59698800

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine (CID 107504527) is 5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine is Cc1cc(-c2ncc(CCl)cn2)cc(C)n1.
What is the InChIKey of 5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine?
The InChIKey is RLUOZDSIQNDPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8-3-11(4-9(2)16-8)12-14-6-10(5-13)7-15-12/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine?
5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine has a molecular weight of 233.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine is sourced from PubChem (CID 107504527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).