5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine

C12H13ClN4O — CID 114205394

IUPAC5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine
SMILESCCc1nc(-c2ccc(OC)nn2)ncc1CCl
InChIInChI=1S/C12H13ClN4O/c1-3-9-8(6-13)7-14-12(15-9)10-4-5-11(18-2)17-16-10/h4-5,7H,3,6H2,1-2H3
InChIKeyPZOOZRLIMNRYBR-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.24
Rot. Bonds4

About 5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine

5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine (PubChem CID 114205394) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine
PubChem CID114205394
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine
SMILESCCc1nc(-c2ccc(OC)nn2)ncc1CCl
InChIInChI=1S/C12H13ClN4O/c1-3-9-8(6-13)7-14-12(15-9)10-4-5-11(18-2)17-16-10/h4-5,7H,3,6H2,1-2H3
InChIKeyPZOOZRLIMNRYBR-UHFFFAOYSA-N
XLogP2.24
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-(6-methoxypyridazin-3-yl)-5-methylpyrimidin-4-amine
CID 103375000
4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine
CID 103373064
6-ethyl-2-(6-methoxypyridazin-3-yl)-N,5-dimethylpyrimidin-4-amine
CID 103375001
5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375046
2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde
CID 103375163
(1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431567
6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine
CID 103375031
5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine
CID 114205364
N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103375185
5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375038
5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
CID 103375014
N-ethyl-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103375313

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine (CID 114205394) is 5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine is CCc1nc(-c2ccc(OC)nn2)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine?
The InChIKey is PZOOZRLIMNRYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-3-9-8(6-13)7-14-12(15-9)10-4-5-11(18-2)17-16-10/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine?
5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine has a molecular weight of 264.72 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine is sourced from PubChem (CID 114205394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).