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

C11H14N4O2 — CID 142985341

IUPAC7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESC[C@@H]1C[C@@H](O)[C@H](c2c[nH]c3c(=O)[nH]cnc23)N1
InChIInChI=1S/C11H14N4O2/c1-5-2-7(16)8(15-5)6-3-12-10-9(6)13-4-14-11(10)17/h3-5,7-8,12,15-16H,2H2,1H3,(H,13,14,17)/t5-,7-,8+/m1/s1
InChIKeyYLGFRWHIBZPUTN-NJUXHZRNSA-N
MW234.26 g/mol
LogP0.04
Rot. Bonds1

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

7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 142985341) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID142985341
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESC[C@@H]1C[C@@H](O)[C@H](c2c[nH]c3c(=O)[nH]cnc23)N1
InChIInChI=1S/C11H14N4O2/c1-5-2-7(16)8(15-5)6-3-12-10-9(6)13-4-14-11(10)17/h3-5,7-8,12,15-16H,2H2,1H3,(H,13,14,17)/t5-,7-,8+/m1/s1
InChIKeyYLGFRWHIBZPUTN-NJUXHZRNSA-N
XLogP0.04
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 142985341) is 7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is C[C@@H]1C[C@@H](O)[C@H](c2c[nH]c3c(=O)[nH]cnc23)N1.
What is the InChIKey of 7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is YLGFRWHIBZPUTN-NJUXHZRNSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-5-2-7(16)8(15-5)6-3-12-10-9(6)13-4-14-11(10)17/h3-5,7-8,12,15-16H,2H2,1H3,(H,13,14,17)/t5-,7-,8+/m1/s1.
What are the key properties of 7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 234.26 g/mol, XLogP of 0.04, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 142985341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).