1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine

C22H26FN5O — CID 151801201

IUPAC1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine
SMILESCOc1cc(F)ccc1CCN1C2=NC(c3ccncn3)=CCN2CCC1(C)C
InChIInChI=1S/C22H26FN5O/c1-22(2)9-13-27-11-8-19(18-6-10-24-15-25-18)26-21(27)28(22)12-7-16-4-5-17(23)14-20(16)29-3/h4-6,8,10,14-15H,7,9,11-13H2,1-3H3
InChIKeyRYQNFXQTDQQYGE-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.36
Rot. Bonds5

About 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine

1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine (PubChem CID 151801201) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine
PubChem CID151801201
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine
SMILESCOc1cc(F)ccc1CCN1C2=NC(c3ccncn3)=CCN2CCC1(C)C
InChIInChI=1S/C22H26FN5O/c1-22(2)9-13-27-11-8-19(18-6-10-24-15-25-18)26-21(27)28(22)12-7-16-4-5-17(23)14-20(16)29-3/h4-6,8,10,14-15H,7,9,11-13H2,1-3H3
InChIKeyRYQNFXQTDQQYGE-UHFFFAOYSA-N
XLogP3.36
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine 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-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine (CID 151801201) is 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine is COc1cc(F)ccc1CCN1C2=NC(c3ccncn3)=CCN2CCC1(C)C.
What is the InChIKey of 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine?
The InChIKey is RYQNFXQTDQQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-22(2)9-13-27-11-8-19(18-6-10-24-15-25-18)26-21(27)28(22)12-7-16-4-5-17(23)14-20(16)29-3/h4-6,8,10,14-15H,7,9,11-13H2,1-3H3.
What are the key properties of 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine?
1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine has a molecular weight of 395.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,6-dihydro-3H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 151801201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).