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

C7H8ClN3 — CID 21320082

IUPAC7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCC1=NC(Cl)=CC2=NCCN12
InChIInChI=1S/C7H8ClN3/c1-5-10-6(8)4-7-9-2-3-11(5)7/h4H,2-3H2,1H3
InChIKeyNOCZDYUBWIFFPR-UHFFFAOYSA-N
MW169.62 g/mol
LogP1.21
Rot. Bonds

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

7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 21320082) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine
PubChem CID21320082
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCC1=NC(Cl)=CC2=NCCN12
InChIInChI=1S/C7H8ClN3/c1-5-10-6(8)4-7-9-2-3-11(5)7/h4H,2-3H2,1H3
InChIKeyNOCZDYUBWIFFPR-UHFFFAOYSA-N
XLogP1.21
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 51.21
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-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine (CID 21320082) is 7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine is CC1=NC(Cl)=CC2=NCCN12.
What is the InChIKey of 7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is NOCZDYUBWIFFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-5-10-6(8)4-7-9-2-3-11(5)7/h4H,2-3H2,1H3.
What are the key properties of 7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 169.62 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 21320082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).