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

C11H15N5O3 — CID 135753513

IUPAC2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESC[C@H]1N[C@@H](c2c[nH]c3c(=O)[nH]c(N)nc23)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O3/c1-3-8(17)9(18)6(14-3)4-2-13-7-5(4)15-11(12)16-10(7)19/h2-3,6,8-9,13-14,17-18H,1H3,(H3,12,15,16,19)/t3-,6+,8-,9+/m1/s1
InChIKeyKKPNUDXODIUHJB-PRMBHOGLSA-N
MW265.27 g/mol
LogP-1.41
Rot. Bonds1

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

2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135753513) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135753513
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESC[C@H]1N[C@@H](c2c[nH]c3c(=O)[nH]c(N)nc23)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O3/c1-3-8(17)9(18)6(14-3)4-2-13-7-5(4)15-11(12)16-10(7)19/h2-3,6,8-9,13-14,17-18H,1H3,(H3,12,15,16,19)/t3-,6+,8-,9+/m1/s1
InChIKeyKKPNUDXODIUHJB-PRMBHOGLSA-N
XLogP-1.41
TPSA140.05 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135753513) is 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is C[C@H]1N[C@@H](c2c[nH]c3c(=O)[nH]c(N)nc23)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is KKPNUDXODIUHJB-PRMBHOGLSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-3-8(17)9(18)6(14-3)4-2-13-7-5(4)15-11(12)16-10(7)19/h2-3,6,8-9,13-14,17-18H,1H3,(H3,12,15,16,19)/t3-,6+,8-,9+/m1/s1.
What are the key properties of 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 265.27 g/mol, XLogP of -1.41, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135753513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).