4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine

C11H17ClN2 — CID 63891277

IUPAC4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(CC(C)(C)C)n1
InChIInChI=1S/C11H17ClN2/c1-5-8-6-9(12)14-10(13-8)7-11(2,3)4/h6H,5,7H2,1-4H3
InChIKeyKKAVXYKUWDTIID-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.28
Rot. Bonds2

About 4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine

4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine (PubChem CID 63891277) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine
PubChem CID63891277
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(CC(C)(C)C)n1
InChIInChI=1S/C11H17ClN2/c1-5-8-6-9(12)14-10(13-8)7-11(2,3)4/h6H,5,7H2,1-4H3
InChIKeyKKAVXYKUWDTIID-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-6-ethylpyrimidin-2-yl)methanamine
CID 55262955
4-chloro-2,6-diethylpyrimidine
CID 43557605
2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine
CID 65133411
4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine
CID 65134034
4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine
CID 61412759
4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
CID 61392924
4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
CID 130552298
4-chloro-2-(1-chloroethyl)-6-ethylpyrimidine
CID 80663980
4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine
CID 66094645
4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
CID 79421610
4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine
CID 63892135
2-(chloromethyl)-4-ethyl-6-methoxypyrimidine
CID 13153412

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine?
The IUPAC name of 4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine (CID 63891277) is 4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine is CCc1cc(Cl)nc(CC(C)(C)C)n1.
What is the InChIKey of 4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine?
The InChIKey is KKAVXYKUWDTIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-5-8-6-9(12)14-10(13-8)7-11(2,3)4/h6H,5,7H2,1-4H3.
What are the key properties of 4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine?
4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine has a molecular weight of 212.72 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine is sourced from PubChem (CID 63891277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).