7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine

C7H8ClN3S — CID 21320074

IUPAC7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCSC1=NC(Cl)=CC2=NCCN21
InChIInChI=1S/C7H8ClN3S/c1-12-7-10-5(8)4-6-9-2-3-11(6)7/h4H,2-3H2,1H3
InChIKeyDKAHFAGBMNLIHE-UHFFFAOYSA-N
MW201.68 g/mol
LogP1.51
Rot. Bonds

About 7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine

7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 21320074) has the molecular formula C7H8ClN3S and a molecular weight of 201.68 g/mol. Its IUPAC name is 7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
PubChem CID21320074
Molecular FormulaC7H8ClN3S
Molecular Weight201.68 g/mol
Exact Mass201.01
IUPAC Name7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCSC1=NC(Cl)=CC2=NCCN21
InChIInChI=1S/C7H8ClN3S/c1-12-7-10-5(8)4-6-9-2-3-11(6)7/h4H,2-3H2,1H3
InChIKeyDKAHFAGBMNLIHE-UHFFFAOYSA-N
XLogP1.51
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine (CID 21320074) is 7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine is CSC1=NC(Cl)=CC2=NCCN21.
What is the InChIKey of 7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is DKAHFAGBMNLIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3S/c1-12-7-10-5(8)4-6-9-2-3-11(6)7/h4H,2-3H2,1H3.
What are the key properties of 7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 201.68 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 21320074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).