[4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol

C20H17N3O — CID 171513203

IUPAC[4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol
SMILESOCc1ccc(-c2cc3c(Cc4ccccc4)ncnc3[nH]2)cc1
InChIInChI=1S/C20H17N3O/c24-12-15-6-8-16(9-7-15)18-11-17-19(21-13-22-20(17)23-18)10-14-4-2-1-3-5-14/h1-9,11,13,24H,10,12H2,(H,21,22,23)
InChIKeyVRRSDKAYAIRJHH-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.71
Rot. Bonds4

About [4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol

[4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol (PubChem CID 171513203) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is [4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol
PubChem CID171513203
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name[4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol
SMILESOCc1ccc(-c2cc3c(Cc4ccccc4)ncnc3[nH]2)cc1
InChIInChI=1S/C20H17N3O/c24-12-15-6-8-16(9-7-15)18-11-17-19(21-13-22-20(17)23-18)10-14-4-2-1-3-5-14/h1-9,11,13,24H,10,12H2,(H,21,22,23)
InChIKeyVRRSDKAYAIRJHH-UHFFFAOYSA-N
XLogP3.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol?
The IUPAC name of [4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol (CID 171513203) is [4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol?
The canonical SMILES for [4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol is OCc1ccc(-c2cc3c(Cc4ccccc4)ncnc3[nH]2)cc1.
What is the InChIKey of [4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol?
The InChIKey is VRRSDKAYAIRJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-12-15-6-8-16(9-7-15)18-11-17-19(21-13-22-20(17)23-18)10-14-4-2-1-3-5-14/h1-9,11,13,24H,10,12H2,(H,21,22,23).
What are the key properties of [4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol?
[4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol has a molecular weight of 315.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol is sourced from PubChem (CID 171513203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).