1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride

C21H23ClFN5O — CID 68697215

IUPAC1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride
SMILESCC1(C)Cn2c(nc(-c3ccncn3)cc2=O)N1CCCc1ccccc1F.Cl
InChIInChI=1S/C21H22FN5O.ClH/c1-21(2)13-26-19(28)12-18(17-9-10-23-14-24-17)25-20(26)27(21)11-5-7-15-6-3-4-8-16(15)22;/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3;1H
InChIKeyDLKNAHLPWVZYRR-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.49
Rot. Bonds5

About 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride

1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride (PubChem CID 68697215) has the molecular formula C21H23ClFN5O and a molecular weight of 415.90 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride
PubChem CID68697215
Molecular FormulaC21H23ClFN5O
Molecular Weight415.90 g/mol
Exact Mass415.16
IUPAC Name1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride
SMILESCC1(C)Cn2c(nc(-c3ccncn3)cc2=O)N1CCCc1ccccc1F.Cl
InChIInChI=1S/C21H22FN5O.ClH/c1-21(2)13-26-19(28)12-18(17-9-10-23-14-24-17)25-20(26)27(21)11-5-7-15-6-3-4-8-16(15)22;/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3;1H
InChIKeyDLKNAHLPWVZYRR-UHFFFAOYSA-N
XLogP3.49
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride (CID 68697215) is 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride is CC1(C)Cn2c(nc(-c3ccncn3)cc2=O)N1CCCc1ccccc1F.Cl.
What is the InChIKey of 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride?
The InChIKey is DLKNAHLPWVZYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O.ClH/c1-21(2)13-26-19(28)12-18(17-9-10-23-14-24-17)25-20(26)27(21)11-5-7-15-6-3-4-8-16(15)22;/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3;1H.
What are the key properties of 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride?
1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride has a molecular weight of 415.90 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)propyl]-2,2-dimethyl-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 68697215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).