4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine

C12H17ClN2 — CID 107925411

IUPAC4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(C2CC2(C)C)nc(Cl)c1C
InChIInChI=1S/C12H17ClN2/c1-5-9-7(2)10(13)15-11(14-9)8-6-12(8,3)4/h8H,5-6H2,1-4H3
InChIKeyLKJWLDYUVLJKNU-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.51
Rot. Bonds2

About 4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine

4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine (PubChem CID 107925411) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine
PubChem CID107925411
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(C2CC2(C)C)nc(Cl)c1C
InChIInChI=1S/C12H17ClN2/c1-5-9-7(2)10(13)15-11(14-9)8-6-12(8,3)4/h8H,5-6H2,1-4H3
InChIKeyLKJWLDYUVLJKNU-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Di-tert-butyl-6-chloropyrimidine
CID 11368138
4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 351135
4-Chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
4-Chloro-2-methyl-6-(propan-2-yl)pyrimidine
CID 25220467
4-Tert-butyl-6-chloro-2-(propan-2-yl)pyrimidine
CID 43557555
4-Chloro-2,6-bis(propan-2-yl)pyrimidine
CID 43557629
4-Chloro-6-cyclopropyl-2-methylpyrimidine
CID 45788112
4-Chloro-2,6-dicyclopropylpyrimidine
CID 45788167
Pyrimidine, 2,4,5-trichloro-6-(1-methylethyl)-
CID 246017
4-Tert-butyl-6-chloro-2-(chloromethyl)pyrimidine
CID 79018328
2,4-Dichloro-6-ethyl-5-propan-2-ylpyrimidine
CID 10513045
4-Chloro-2,5,6-tris(1,1-dimethylethyl)pyrimidine
CID 14642745

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine (CID 107925411) is 4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine is CCc1nc(C2CC2(C)C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine?
The InChIKey is LKJWLDYUVLJKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-5-9-7(2)10(13)15-11(14-9)8-6-12(8,3)4/h8H,5-6H2,1-4H3.
What are the key properties of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine?
4-chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine has a molecular weight of 224.73 g/mol, XLogP of 3.51, 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-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine is sourced from PubChem (CID 107925411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).