4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine

C16H18N4O — CID 122282690

IUPAC4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
SMILESc1ccc2c(c1)CN(c1cc(N3CCOCC3)ncn1)C2
InChIInChI=1S/C16H18N4O/c1-2-4-14-11-20(10-13(14)3-1)16-9-15(17-12-18-16)19-5-7-21-8-6-19/h1-4,9,12H,5-8,10-11H2
InChIKeyPUGBTXSTUCPPRP-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.83
Rot. Bonds2

About 4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine

4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine (PubChem CID 122282690) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
PubChem CID122282690
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
SMILESc1ccc2c(c1)CN(c1cc(N3CCOCC3)ncn1)C2
InChIInChI=1S/C16H18N4O/c1-2-4-14-11-20(10-13(14)3-1)16-9-15(17-12-18-16)19-5-7-21-8-6-19/h1-4,9,12H,5-8,10-11H2
InChIKeyPUGBTXSTUCPPRP-UHFFFAOYSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine (CID 122282690) is 4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine is c1ccc2c(c1)CN(c1cc(N3CCOCC3)ncn1)C2.
What is the InChIKey of 4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine?
The InChIKey is PUGBTXSTUCPPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-4-14-11-20(10-13(14)3-1)16-9-15(17-12-18-16)19-5-7-21-8-6-19/h1-4,9,12H,5-8,10-11H2.
What are the key properties of 4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine?
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine has a molecular weight of 282.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 122282690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).