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

C6H6ClN3 — CID 21320106

IUPAC7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESClC1=CC2=NCCN2C=N1
InChIInChI=1S/C6H6ClN3/c7-5-3-6-8-1-2-10(6)4-9-5/h3-4H,1-2H2
InChIKeyDFOZJIHJNZKQHV-UHFFFAOYSA-N
MW155.59 g/mol
LogP0.82
Rot. Bonds

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

7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 21320106) has the molecular formula C6H6ClN3 and a molecular weight of 155.59 g/mol. Its IUPAC name is 7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine
PubChem CID21320106
Molecular FormulaC6H6ClN3
Molecular Weight155.59 g/mol
Exact Mass155.03
IUPAC Name7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESClC1=CC2=NCCN2C=N1
InChIInChI=1S/C6H6ClN3/c7-5-3-6-8-1-2-10(6)4-9-5/h3-4H,1-2H2
InChIKeyDFOZJIHJNZKQHV-UHFFFAOYSA-N
XLogP0.82
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.59
LogP ≤ 50.82
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-2,3-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine (CID 21320106) is 7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine is ClC1=CC2=NCCN2C=N1.
What is the InChIKey of 7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is DFOZJIHJNZKQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3/c7-5-3-6-8-1-2-10(6)4-9-5/h3-4H,1-2H2.
What are the key properties of 7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine?
7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 155.59 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 21320106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).