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

C21H21ClFN5O2 — CID 157045623

IUPAC(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine
SMILESCc1cnc2c(-c3ccc(Cl)cc3F)nc(N3CCO[C@H]([C@H]4CCOC4)C3)nc2n1
InChIInChI=1S/C21H21ClFN5O2/c1-12-9-24-19-18(15-3-2-14(22)8-16(15)23)26-21(27-20(19)25-12)28-5-7-30-17(10-28)13-4-6-29-11-13/h2-3,8-9,13,17H,4-7,10-11H2,1H3/t13-,17-/m0/s1
InChIKeyVUXYYBDXDAKUEQ-GUYCJALGSA-N
MW429.88 g/mol
LogP3.43
Rot. Bonds3

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

(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine (PubChem CID 157045623) has the molecular formula C21H21ClFN5O2 and a molecular weight of 429.88 g/mol. Its IUPAC name is (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine.

Molecular Properties

Compound Name(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine
PubChem CID157045623
Molecular FormulaC21H21ClFN5O2
Molecular Weight429.88 g/mol
Exact Mass429.14
IUPAC Name(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine
SMILESCc1cnc2c(-c3ccc(Cl)cc3F)nc(N3CCO[C@H]([C@H]4CCOC4)C3)nc2n1
InChIInChI=1S/C21H21ClFN5O2/c1-12-9-24-19-18(15-3-2-14(22)8-16(15)23)26-21(27-20(19)25-12)28-5-7-30-17(10-28)13-4-6-29-11-13/h2-3,8-9,13,17H,4-7,10-11H2,1H3/t13-,17-/m0/s1
InChIKeyVUXYYBDXDAKUEQ-GUYCJALGSA-N
XLogP3.43
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(3-methoxypropyl)morpholine
CID 170231345
1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
CID 157044437
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 166122956
(2S,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044817
4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
CID 157044800
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(2-methylpyrimidin-5-yl)morpholine
CID 157045322
(2S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
CID 157044394
8-(4-chloro-2-fluorophenyl)-3-methyl-6-(oxan-4-yl)pyrido[2,3-b]pyrazine
CID 157044867
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]morpholine;(Z)-3-cyclopropyliminoprop-1-en-1-amine
CID 157044637
8-(4-chloro-2-fluorophenyl)-6-[2-(methoxymethyl)morpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 170711713
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
(2S)-4-[4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 157045863

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine?
The IUPAC name of (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine (CID 157045623) is (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine.
What is the SMILES notation for (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine?
The canonical SMILES for (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine is Cc1cnc2c(-c3ccc(Cl)cc3F)nc(N3CCO[C@H]([C@H]4CCOC4)C3)nc2n1.
What is the InChIKey of (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine?
The InChIKey is VUXYYBDXDAKUEQ-GUYCJALGSA-N. The full InChI is InChI=1S/C21H21ClFN5O2/c1-12-9-24-19-18(15-3-2-14(22)8-16(15)23)26-21(27-20(19)25-12)28-5-7-30-17(10-28)13-4-6-29-11-13/h2-3,8-9,13,17H,4-7,10-11H2,1H3/t13-,17-/m0/s1.
What are the key properties of (2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine?
(2R)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-[(3S)-oxolan-3-yl]morpholine has a molecular weight of 429.88 g/mol, XLogP of 3.43, 3 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-[(3S)-oxolan-3-yl]morpholine is sourced from PubChem (CID 157045623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).