2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride

C22H25ClFN5O — CID 157197732

IUPAC2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride
SMILESCOC1CN(c2cc(Cc3cnccn3)nc(C[C@@H](C)c3ccc(F)cc3)n2)C1.Cl
InChIInChI=1S/C22H24FN5O.ClH/c1-15(16-3-5-17(23)6-4-16)9-21-26-18(10-19-12-24-7-8-25-19)11-22(27-21)28-13-20(14-28)29-2;/h3-8,11-12,15,20H,9-10,13-14H2,1-2H3;1H/t15-;/m1./s1
InChIKeyJGZCSBKUCLAXPA-XFULWGLBSA-N
MW429.93 g/mol
LogP3.60
Rot. Bonds7

About 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride

2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride (PubChem CID 157197732) has the molecular formula C22H25ClFN5O and a molecular weight of 429.93 g/mol. Its IUPAC name is 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride
PubChem CID157197732
Molecular FormulaC22H25ClFN5O
Molecular Weight429.93 g/mol
Exact Mass429.17
IUPAC Name2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride
SMILESCOC1CN(c2cc(Cc3cnccn3)nc(C[C@@H](C)c3ccc(F)cc3)n2)C1.Cl
InChIInChI=1S/C22H24FN5O.ClH/c1-15(16-3-5-17(23)6-4-16)9-21-26-18(10-19-12-24-7-8-25-19)11-22(27-21)28-13-20(14-28)29-2;/h3-8,11-12,15,20H,9-10,13-14H2,1-2H3;1H/t15-;/m1./s1
InChIKeyJGZCSBKUCLAXPA-XFULWGLBSA-N
XLogP3.60
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;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 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride?
The IUPAC name of 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride (CID 157197732) is 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride?
The canonical SMILES for 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride is COC1CN(c2cc(Cc3cnccn3)nc(C[C@@H](C)c3ccc(F)cc3)n2)C1.Cl.
What is the InChIKey of 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride?
The InChIKey is JGZCSBKUCLAXPA-XFULWGLBSA-N. The full InChI is InChI=1S/C22H24FN5O.ClH/c1-15(16-3-5-17(23)6-4-16)9-21-26-18(10-19-12-24-7-8-25-19)11-22(27-21)28-13-20(14-28)29-2;/h3-8,11-12,15,20H,9-10,13-14H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride?
2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride has a molecular weight of 429.93 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-fluorophenyl)propyl]-4-(3-methoxyazetidin-1-yl)-6-(pyrazin-2-ylmethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 157197732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).