4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine

C10H11ClN4 — CID 22487794

IUPAC4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H11ClN4/c1-7(2)8-5-9(11)14-10(13-8)15-4-3-12-6-15/h3-7H,1-2H3
InChIKeyZFEHCALHJJZDBW-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.44
Rot. Bonds2

About 4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine

4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine (PubChem CID 22487794) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine
PubChem CID22487794
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H11ClN4/c1-7(2)8-5-9(11)14-10(13-8)15-4-3-12-6-15/h3-7H,1-2H3
InChIKeyZFEHCALHJJZDBW-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine (CID 22487794) is 4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine?
The InChIKey is ZFEHCALHJJZDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7(2)8-5-9(11)14-10(13-8)15-4-3-12-6-15/h3-7H,1-2H3.
What are the key properties of 4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine?
4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine has a molecular weight of 222.68 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-imidazol-1-yl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 22487794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).