7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one

C15H24N4O3S — CID 70970229

IUPAC7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCSC[C@H](NCc1c[nH]c2c1NCNC2=O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H24N4O3S/c1-15(2)21-6-11(22-15)10(7-23-3)16-4-9-5-17-13-12(9)18-8-19-14(13)20/h5,10-11,16-18H,4,6-8H2,1-3H3,(H,19,20)/t10-,11-/m0/s1
InChIKeyKWWZPZDZNJCQGM-QWRGUYRKSA-N
MW340.45 g/mol
LogP1.10
Rot. Bonds6

About 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one

7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 70970229) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID70970229
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCSC[C@H](NCc1c[nH]c2c1NCNC2=O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H24N4O3S/c1-15(2)21-6-11(22-15)10(7-23-3)16-4-9-5-17-13-12(9)18-8-19-14(13)20/h5,10-11,16-18H,4,6-8H2,1-3H3,(H,19,20)/t10-,11-/m0/s1
InChIKeyKWWZPZDZNJCQGM-QWRGUYRKSA-N
XLogP1.10
TPSA87.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one (CID 70970229) is 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one is CSC[C@H](NCc1c[nH]c2c1NCNC2=O)[C@@H]1COC(C)(C)O1.
What is the InChIKey of 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is KWWZPZDZNJCQGM-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-15(2)21-6-11(22-15)10(7-23-3)16-4-9-5-17-13-12(9)18-8-19-14(13)20/h5,10-11,16-18H,4,6-8H2,1-3H3,(H,19,20)/t10-,11-/m0/s1.
What are the key properties of 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one?
7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 340.45 g/mol, XLogP of 1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]amino]methyl]-1,2,3,5-tetrahydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 70970229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).