4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine

C16H16F2N4O3S — CID 86264634

IUPAC4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine
SMILESO=S(=O)(c1c(F)cccc1F)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C16H16F2N4O3S/c17-12-2-1-3-13(18)15(12)26(23,24)22-9-11-8-19-16(20-14(11)10-22)21-4-6-25-7-5-21/h1-3,8H,4-7,9-10H2
InChIKeyKVGHEURQBOYGBO-UHFFFAOYSA-N
MW382.39 g/mol
LogP1.30
Rot. Bonds3

About 4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine

4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine (PubChem CID 86264634) has the molecular formula C16H16F2N4O3S and a molecular weight of 382.39 g/mol. Its IUPAC name is 4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine
PubChem CID86264634
Molecular FormulaC16H16F2N4O3S
Molecular Weight382.39 g/mol
Exact Mass382.09
IUPAC Name4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine
SMILESO=S(=O)(c1c(F)cccc1F)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C16H16F2N4O3S/c17-12-2-1-3-13(18)15(12)26(23,24)22-9-11-8-19-16(20-14(11)10-22)21-4-6-25-7-5-21/h1-3,8H,4-7,9-10H2
InChIKeyKVGHEURQBOYGBO-UHFFFAOYSA-N
XLogP1.30
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine (CID 86264634) is 4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine is O=S(=O)(c1c(F)cccc1F)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The InChIKey is KVGHEURQBOYGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3S/c17-12-2-1-3-13(18)15(12)26(23,24)22-9-11-8-19-16(20-14(11)10-22)21-4-6-25-7-5-21/h1-3,8H,4-7,9-10H2.
What are the key properties of 4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine has a molecular weight of 382.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 86264634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).