(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol

C8H9N3O — CID 118798143

IUPAC(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
SMILESCn1ccc2c(CO)ncnc21
InChIInChI=1S/C8H9N3O/c1-11-3-2-6-7(4-12)9-5-10-8(6)11/h2-3,5,12H,4H2,1H3
InChIKeyAVERXDJETHETQV-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.46
Rot. Bonds1

About (7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol

(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol (PubChem CID 118798143) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is (7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
PubChem CID118798143
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
SMILESCn1ccc2c(CO)ncnc21
InChIInChI=1S/C8H9N3O/c1-11-3-2-6-7(4-12)9-5-10-8(6)11/h2-3,5,12H,4H2,1H3
InChIKeyAVERXDJETHETQV-UHFFFAOYSA-N
XLogP0.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol?
The IUPAC name of (7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol (CID 118798143) is (7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol.
What is the SMILES notation for (7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol?
The canonical SMILES for (7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol is Cn1ccc2c(CO)ncnc21.
What is the InChIKey of (7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol?
The InChIKey is AVERXDJETHETQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-3-2-6-7(4-12)9-5-10-8(6)11/h2-3,5,12H,4H2,1H3.
What are the key properties of (7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol?
(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol has a molecular weight of 163.18 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol is sourced from PubChem (CID 118798143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).