4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine

C20H21FN4O2 — CID 149056901

IUPAC4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
SMILESCC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C20H21FN4O2/c1-20(2-3-20)27-17-9-14-13(8-15(17)21)11-22-19(14)16-10-18(24-12-23-16)25-4-6-26-7-5-25/h8-10,12H,2-7,11H2,1H3
InChIKeyQLADGDRRVAMOQK-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.73
Rot. Bonds4

About 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine

4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 149056901) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID149056901
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
SMILESCC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C20H21FN4O2/c1-20(2-3-20)27-17-9-14-13(8-15(17)21)11-22-19(14)16-10-18(24-12-23-16)25-4-6-26-7-5-25/h8-10,12H,2-7,11H2,1H3
InChIKeyQLADGDRRVAMOQK-UHFFFAOYSA-N
XLogP2.73
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine (CID 149056901) is 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine is CC1(Oc2cc3c(cc2F)CN=C3c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is QLADGDRRVAMOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-20(2-3-20)27-17-9-14-13(8-15(17)21)11-22-19(14)16-10-18(24-12-23-16)25-4-6-26-7-5-25/h8-10,12H,2-7,11H2,1H3.
What are the key properties of 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 368.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 149056901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).