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

C11H16N4O3 — CID 3007967

IUPAC2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
SMILESCc1cn(COC(CO)CO)c2ncnc(N)c12
InChIInChI=1S/C11H16N4O3/c1-7-2-15(6-18-8(3-16)4-17)11-9(7)10(12)13-5-14-11/h2,5,8,16-17H,3-4,6H2,1H3,(H2,12,13,14)
InChIKeyMJYJIOHGOXHQBI-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.35
Rot. Bonds5

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

2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol (PubChem CID 3007967) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
PubChem CID3007967
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
SMILESCc1cn(COC(CO)CO)c2ncnc(N)c12
InChIInChI=1S/C11H16N4O3/c1-7-2-15(6-18-8(3-16)4-17)11-9(7)10(12)13-5-14-11/h2,5,8,16-17H,3-4,6H2,1H3,(H2,12,13,14)
InChIKeyMJYJIOHGOXHQBI-UHFFFAOYSA-N
XLogP-0.35
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol?
The IUPAC name of 2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol (CID 3007967) is 2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol.
What is the SMILES notation for 2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol?
The canonical SMILES for 2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol is Cc1cn(COC(CO)CO)c2ncnc(N)c12.
What is the InChIKey of 2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol?
The InChIKey is MJYJIOHGOXHQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-2-15(6-18-8(3-16)4-17)11-9(7)10(12)13-5-14-11/h2,5,8,16-17H,3-4,6H2,1H3,(H2,12,13,14).
What are the key properties of 2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol?
2-[(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol has a molecular weight of 252.27 g/mol, XLogP of -0.35, 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-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol is sourced from PubChem (CID 3007967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).