(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine

C21H23ClFN5O2 — CID 170231345

IUPAC(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine
SMILESCOCCC[C@@H]1CN(c2nc(-c3ccc(Cl)cc3F)c3ncc(C)nc3n2)CCO1
InChIInChI=1S/C21H23ClFN5O2/c1-13-11-24-19-18(16-6-5-14(22)10-17(16)23)26-21(27-20(19)25-13)28-7-9-30-15(12-28)4-3-8-29-2/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3/t15-/m1/s1
InChIKeyWBZYEUHVJWRAKJ-OAHLLOKOSA-N
MW431.90 g/mol
LogP3.82
Rot. Bonds6

About (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine

(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine (PubChem CID 170231345) has the molecular formula C21H23ClFN5O2 and a molecular weight of 431.90 g/mol. Its IUPAC name is (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine
PubChem CID170231345
Molecular FormulaC21H23ClFN5O2
Molecular Weight431.90 g/mol
Exact Mass431.15
IUPAC Name(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine
SMILESCOCCC[C@@H]1CN(c2nc(-c3ccc(Cl)cc3F)c3ncc(C)nc3n2)CCO1
InChIInChI=1S/C21H23ClFN5O2/c1-13-11-24-19-18(16-6-5-14(22)10-17(16)23)26-21(27-20(19)25-13)28-7-9-30-15(12-28)4-3-8-29-2/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3/t15-/m1/s1
InChIKeyWBZYEUHVJWRAKJ-OAHLLOKOSA-N
XLogP3.82
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine
CID 157045623
8-(4-chloro-2-fluorophenyl)-6-[2-(methoxymethyl)morpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 170711713
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 166122956
1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
CID 157044437
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(2-methylpyrimidin-5-yl)morpholine
CID 157045322
(2S,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044817
(2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
CID 157044394
4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
CID 157044800
4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 131900324
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R)-2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
CID 172611927
(2S)-4-[4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 157045863
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine?
The IUPAC name of (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine (CID 170231345) is (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine.
What is the SMILES notation for (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine?
The canonical SMILES for (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine is COCCC[C@@H]1CN(c2nc(-c3ccc(Cl)cc3F)c3ncc(C)nc3n2)CCO1.
What is the InChIKey of (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine?
The InChIKey is WBZYEUHVJWRAKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23ClFN5O2/c1-13-11-24-19-18(16-6-5-14(22)10-17(16)23)26-21(27-20(19)25-13)28-7-9-30-15(12-28)4-3-8-29-2/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine?
(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine has a molecular weight of 431.90 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine is sourced from PubChem (CID 170231345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).