7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C11H14N4O3 — CID 163928711

IUPAC7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(C3CC[C@H](O)[C@@H](O)N3)c[nH]c12
InChIInChI=1S/C11H14N4O3/c16-7-2-1-6(15-10(7)17)5-3-12-9-8(5)13-4-14-11(9)18/h3-4,6-7,10,12,15-17H,1-2H2,(H,13,14,18)/t6?,7-,10+/m0/s1
InChIKeyRGUPIGHSBIEESA-LZFDYUIDSA-N
MW250.26 g/mol
LogP-0.64
Rot. Bonds1

About 7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 163928711) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID163928711
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(C3CC[C@H](O)[C@@H](O)N3)c[nH]c12
InChIInChI=1S/C11H14N4O3/c16-7-2-1-6(15-10(7)17)5-3-12-9-8(5)13-4-14-11(9)18/h3-4,6-7,10,12,15-17H,1-2H2,(H,13,14,18)/t6?,7-,10+/m0/s1
InChIKeyRGUPIGHSBIEESA-LZFDYUIDSA-N
XLogP-0.64
TPSA114.03 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 163928711) is 7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(C3CC[C@H](O)[C@@H](O)N3)c[nH]c12.
What is the InChIKey of 7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is RGUPIGHSBIEESA-LZFDYUIDSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-7-2-1-6(15-10(7)17)5-3-12-9-8(5)13-4-14-11(9)18/h3-4,6-7,10,12,15-17H,1-2H2,(H,13,14,18)/t6?,7-,10+/m0/s1.
What are the key properties of 7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 250.26 g/mol, XLogP of -0.64, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 163928711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).