2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol

C10H13IN4O3 — CID 3007966

IUPAC2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
SMILESNc1ncnc2c1c(I)cn2COC(CO)CO
InChIInChI=1S/C10H13IN4O3/c11-7-1-15(5-18-6(2-16)3-17)10-8(7)9(12)13-4-14-10/h1,4,6,16-17H,2-3,5H2,(H2,12,13,14)
InChIKeySWEPSMFHUDHAHL-UHFFFAOYSA-N
MW364.14 g/mol
LogP-0.05
Rot. Bonds5

About 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol

2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol (PubChem CID 3007966) has the molecular formula C10H13IN4O3 and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
PubChem CID3007966
Molecular FormulaC10H13IN4O3
Molecular Weight364.14 g/mol
Exact Mass364.00
IUPAC Name2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
SMILESNc1ncnc2c1c(I)cn2COC(CO)CO
InChIInChI=1S/C10H13IN4O3/c11-7-1-15(5-18-6(2-16)3-17)10-8(7)9(12)13-4-14-10/h1,4,6,16-17H,2-3,5H2,(H2,12,13,14)
InChIKeySWEPSMFHUDHAHL-UHFFFAOYSA-N
XLogP-0.05
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol?
The IUPAC name of 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol (CID 3007966) is 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol.
What is the SMILES notation for 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol?
The canonical SMILES for 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol is Nc1ncnc2c1c(I)cn2COC(CO)CO.
What is the InChIKey of 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol?
The InChIKey is SWEPSMFHUDHAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN4O3/c11-7-1-15(5-18-6(2-16)3-17)10-8(7)9(12)13-4-14-10/h1,4,6,16-17H,2-3,5H2,(H2,12,13,14).
What are the key properties of 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol?
2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol has a molecular weight of 364.14 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol is sourced from PubChem (CID 3007966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).