4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine

C21H24N4O3 — CID 161078113

IUPAC4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
SMILESCOCC1(Oc2ccc3c(c2)C(c2cc(N4CCOCC4)ncn2)=NC3)CC1
InChIInChI=1S/C21H24N4O3/c1-26-13-21(4-5-21)28-16-3-2-15-12-22-20(17(15)10-16)18-11-19(24-14-23-18)25-6-8-27-9-7-25/h2-3,10-11,14H,4-9,12-13H2,1H3
InChIKeyRAEHDXGHKHQBHR-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.22
Rot. Bonds6

About 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine

4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 161078113) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID161078113
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
SMILESCOCC1(Oc2ccc3c(c2)C(c2cc(N4CCOCC4)ncn2)=NC3)CC1
InChIInChI=1S/C21H24N4O3/c1-26-13-21(4-5-21)28-16-3-2-15-12-22-20(17(15)10-16)18-11-19(24-14-23-18)25-6-8-27-9-7-25/h2-3,10-11,14H,4-9,12-13H2,1H3
InChIKeyRAEHDXGHKHQBHR-UHFFFAOYSA-N
XLogP2.22
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-isoindol-5-yl]oxy]cyclopropyl]methanol
CID 158752701
(2R,6S)-4-[6-[6-(1-ethylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 147343969
5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 147980565
(3S)-3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 158527242
4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 159647573
3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole
CID 159514532
2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 152958855
1-ethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one
CID 149010035
2-[2-[4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol
CID 158806572
(3R)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 159666333
2-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 158121251
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine (CID 161078113) is 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine is COCC1(Oc2ccc3c(c2)C(c2cc(N4CCOCC4)ncn2)=NC3)CC1.
What is the InChIKey of 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is RAEHDXGHKHQBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-26-13-21(4-5-21)28-16-3-2-15-12-22-20(17(15)10-16)18-11-19(24-14-23-18)25-6-8-27-9-7-25/h2-3,10-11,14H,4-9,12-13H2,1H3.
What are the key properties of 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 380.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 161078113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).