7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C13H20N4O2 — CID 135981877

IUPAC7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCC[C@H](C)[C@H](CO)NCc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C13H20N4O2/c1-3-8(2)10(6-18)14-4-9-5-15-12-11(9)16-7-17-13(12)19/h5,7-8,10,14-15,18H,3-4,6H2,1-2H3,(H,16,17,19)/t8-,10-/m0/s1
InChIKeyMEMMEUBCDGMDKC-WPRPVWTQSA-N
MW264.33 g/mol
LogP0.75
Rot. Bonds6

About 7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135981877) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135981877
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCC[C@H](C)[C@H](CO)NCc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C13H20N4O2/c1-3-8(2)10(6-18)14-4-9-5-15-12-11(9)16-7-17-13(12)19/h5,7-8,10,14-15,18H,3-4,6H2,1-2H3,(H,16,17,19)/t8-,10-/m0/s1
InChIKeyMEMMEUBCDGMDKC-WPRPVWTQSA-N
XLogP0.75
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135981877) is 7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is CC[C@H](C)[C@H](CO)NCc1c[nH]c2c(=O)[nH]cnc12.
What is the InChIKey of 7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is MEMMEUBCDGMDKC-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-8(2)10(6-18)14-4-9-5-15-12-11(9)16-7-17-13(12)19/h5,7-8,10,14-15,18H,3-4,6H2,1-2H3,(H,16,17,19)/t8-,10-/m0/s1.
What are the key properties of 7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 264.33 g/mol, XLogP of 0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135981877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).