(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine

C20H23FN4O2 — CID 157362787

IUPAC(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCO[C@H](C)C2)ncn1
InChIInChI=1S/C20H23FN4O2/c1-12(2)27-18-7-15-14(6-16(18)21)9-22-20(15)17-8-19(24-11-23-17)25-4-5-26-13(3)10-25/h6-8,11-13H,4-5,9-10H2,1-3H3/t13-/m1/s1
InChIKeyBIVIDMOQBZPVDF-CYBMUJFWSA-N
MW370.43 g/mol
LogP2.98
Rot. Bonds4

About (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine

(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine (PubChem CID 157362787) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine.

Molecular Properties

Compound Name(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine
PubChem CID157362787
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCO[C@H](C)C2)ncn1
InChIInChI=1S/C20H23FN4O2/c1-12(2)27-18-7-15-14(6-16(18)21)9-22-20(15)17-8-19(24-11-23-17)25-4-5-26-13(3)10-25/h6-8,11-13H,4-5,9-10H2,1-3H3/t13-/m1/s1
InChIKeyBIVIDMOQBZPVDF-CYBMUJFWSA-N
XLogP2.98
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine with MolForge

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Related Compounds

4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 146914043
(2S)-4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 157387812
(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine
CID 158298103
(3S)-1-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
CID 157289852
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-ethoxy-1H-isoindole;3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-isoindole;(2S,6R)-4-[6-(6-ethoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;5-ethoxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-ethoxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;8-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
CID 158474472
6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
CID 148663738
2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine
CID 123967588
(2S,6R)-4-[6-(6-methoxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine;4-[6-[6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 159814170
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
1-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 147379339
3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-indazole
CID 78324043
(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 159726399

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine?
The IUPAC name of (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine (CID 157362787) is (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine.
What is the SMILES notation for (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine?
The canonical SMILES for (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine is CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCO[C@H](C)C2)ncn1.
What is the InChIKey of (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine?
The InChIKey is BIVIDMOQBZPVDF-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12(2)27-18-7-15-14(6-16(18)21)9-22-20(15)17-8-19(24-11-23-17)25-4-5-26-13(3)10-25/h6-8,11-13H,4-5,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine?
(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine has a molecular weight of 370.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine is sourced from PubChem (CID 157362787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).