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

C8H10ClN3S — CID 59299175

IUPAC7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCSC1=NC(Cl)=CC2=NC(C)CN21
InChIInChI=1S/C8H10ClN3S/c1-5-4-12-7(10-5)3-6(9)11-8(12)13-2/h3,5H,4H2,1-2H3
InChIKeyMNLBROVLYCKDGZ-UHFFFAOYSA-N
MW215.71 g/mol
LogP1.90
Rot. Bonds

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

7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 59299175) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
PubChem CID59299175
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCSC1=NC(Cl)=CC2=NC(C)CN21
InChIInChI=1S/C8H10ClN3S/c1-5-4-12-7(10-5)3-6(9)11-8(12)13-2/h3,5H,4H2,1-2H3
InChIKeyMNLBROVLYCKDGZ-UHFFFAOYSA-N
XLogP1.90
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 51.90
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-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine (CID 59299175) is 7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine is CSC1=NC(Cl)=CC2=NC(C)CN21.
What is the InChIKey of 7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is MNLBROVLYCKDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c1-5-4-12-7(10-5)3-6(9)11-8(12)13-2/h3,5H,4H2,1-2H3.
What are the key properties of 7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 215.71 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 59299175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).