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

C20H18N6O — CID 159647573

IUPAC4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
SMILESc1ncc(-c2ccc3c(c2)C(c2cc(N4CCOCC4)ncn2)=NC3)cn1
InChIInChI=1S/C20H18N6O/c1-2-15-11-23-20(17(15)7-14(1)16-9-21-12-22-10-16)18-8-19(25-13-24-18)26-3-5-27-6-4-26/h1-2,7-10,12-13H,3-6,11H2
InChIKeyMRDLEKGLTNISKC-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.12
Rot. Bonds3

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

4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 159647573) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
PubChem CID159647573
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
SMILESc1ncc(-c2ccc3c(c2)C(c2cc(N4CCOCC4)ncn2)=NC3)cn1
InChIInChI=1S/C20H18N6O/c1-2-15-11-23-20(17(15)7-14(1)16-9-21-12-22-10-16)18-8-19(25-13-24-18)26-3-5-27-6-4-26/h1-2,7-10,12-13H,3-6,11H2
InChIKeyMRDLEKGLTNISKC-UHFFFAOYSA-N
XLogP2.12
TPSA76.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-isoindol-5-yl]oxy]cyclopropyl]methanol
CID 158752701
2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 159183455
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(furan-3-yl)-1H-isoindole
CID 161136577
4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 161078113
4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 146914043
(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 158740441
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
(2S,6R)-2,6-dimethyl-4-[6-[6-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 159914109
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 147980565
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991

Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine (CID 159647573) is 4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine is c1ncc(-c2ccc3c(c2)C(c2cc(N4CCOCC4)ncn2)=NC3)cn1.
What is the InChIKey of 4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is MRDLEKGLTNISKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-15-11-23-20(17(15)7-14(1)16-9-21-12-22-10-16)18-8-19(25-13-24-18)26-3-5-27-6-4-26/h1-2,7-10,12-13H,3-6,11H2.
What are the key properties of 4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine?
4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 358.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 159647573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).