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

C9H12ClN3 — CID 21320097

IUPAC7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCC1=NC(Cl)=CC2=NC(C)C(C)N12
InChIInChI=1S/C9H12ClN3/c1-5-6(2)13-7(3)12-8(10)4-9(13)11-5/h4-6H,1-3H3
InChIKeyKPVXAXHXXOSIHS-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.99
Rot. Bonds

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

7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 21320097) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine
PubChem CID21320097
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCC1=NC(Cl)=CC2=NC(C)C(C)N12
InChIInChI=1S/C9H12ClN3/c1-5-6(2)13-7(3)12-8(10)4-9(13)11-5/h4-6H,1-3H3
InChIKeyKPVXAXHXXOSIHS-UHFFFAOYSA-N
XLogP1.99
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.99
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-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine (CID 21320097) is 7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine is CC1=NC(Cl)=CC2=NC(C)C(C)N12.
What is the InChIKey of 7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is KPVXAXHXXOSIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-5-6(2)13-7(3)12-8(10)4-9(13)11-5/h4-6H,1-3H3.
What are the key properties of 7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 197.67 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3,5-trimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 21320097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).