4-chloro-6-imidazol-1-yl-2-propylpyrimidine

C10H11ClN4 — CID 80945862

IUPAC4-chloro-6-imidazol-1-yl-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-n2ccnc2)n1
InChIInChI=1S/C10H11ClN4/c1-2-3-9-13-8(11)6-10(14-9)15-5-4-12-7-15/h4-7H,2-3H2,1H3
InChIKeyKYPDKIOWLXOIAS-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.27
Rot. Bonds3

About 4-chloro-6-imidazol-1-yl-2-propylpyrimidine

4-chloro-6-imidazol-1-yl-2-propylpyrimidine (PubChem CID 80945862) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-2-propylpyrimidine
PubChem CID80945862
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-chloro-6-imidazol-1-yl-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-n2ccnc2)n1
InChIInChI=1S/C10H11ClN4/c1-2-3-9-13-8(11)6-10(14-9)15-5-4-12-7-15/h4-7H,2-3H2,1H3
InChIKeyKYPDKIOWLXOIAS-UHFFFAOYSA-N
XLogP2.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-2-propylpyrimidine (CID 80945862) is 4-chloro-6-imidazol-1-yl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-2-propylpyrimidine is CCCc1nc(Cl)cc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-2-propylpyrimidine?
The InChIKey is KYPDKIOWLXOIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-2-3-9-13-8(11)6-10(14-9)15-5-4-12-7-15/h4-7H,2-3H2,1H3.
What are the key properties of 4-chloro-6-imidazol-1-yl-2-propylpyrimidine?
4-chloro-6-imidazol-1-yl-2-propylpyrimidine has a molecular weight of 222.68 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-2-propylpyrimidine is sourced from PubChem (CID 80945862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).