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

C8H10ClN3 — CID 21320116

IUPAC7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCCC1=NC(Cl)=CC2=NCCN21
InChIInChI=1S/C8H10ClN3/c1-2-7-11-6(9)5-8-10-3-4-12(7)8/h5H,2-4H2,1H3
InChIKeyGRGNJZJZRFNBIK-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.60
Rot. Bonds1

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

7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 21320116) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine
PubChem CID21320116
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCCC1=NC(Cl)=CC2=NCCN21
InChIInChI=1S/C8H10ClN3/c1-2-7-11-6(9)5-8-10-3-4-12(7)8/h5H,2-4H2,1H3
InChIKeyGRGNJZJZRFNBIK-UHFFFAOYSA-N
XLogP1.60
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine (CID 21320116) is 7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine is CCC1=NC(Cl)=CC2=NCCN21.
What is the InChIKey of 7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is GRGNJZJZRFNBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-2-7-11-6(9)5-8-10-3-4-12(7)8/h5H,2-4H2,1H3.
What are the key properties of 7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 183.64 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 21320116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).