[5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol

C18H19N3O3 — CID 156832553

IUPAC[5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol
SMILESCOc1ccc(-c2ncnc3c2ccn3C2CCC(CO)O2)cc1
InChIInChI=1S/C18H19N3O3/c1-23-13-4-2-12(3-5-13)17-15-8-9-21(18(15)20-11-19-17)16-7-6-14(10-22)24-16/h2-5,8-9,11,14,16,22H,6-7,10H2,1H3
InChIKeyJQEPHCXKOFTERT-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.78
Rot. Bonds4

About [5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol

[5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol (PubChem CID 156832553) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is [5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol
PubChem CID156832553
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name[5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol
SMILESCOc1ccc(-c2ncnc3c2ccn3C2CCC(CO)O2)cc1
InChIInChI=1S/C18H19N3O3/c1-23-13-4-2-12(3-5-13)17-15-8-9-21(18(15)20-11-19-17)16-7-6-14(10-22)24-16/h2-5,8-9,11,14,16,22H,6-7,10H2,1H3
InChIKeyJQEPHCXKOFTERT-UHFFFAOYSA-N
XLogP2.78
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
The IUPAC name of [5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol (CID 156832553) is [5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
The canonical SMILES for [5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol is COc1ccc(-c2ncnc3c2ccn3C2CCC(CO)O2)cc1.
What is the InChIKey of [5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
The InChIKey is JQEPHCXKOFTERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-13-4-2-12(3-5-13)17-15-8-9-21(18(15)20-11-19-17)16-7-6-14(10-22)24-16/h2-5,8-9,11,14,16,22H,6-7,10H2,1H3.
What are the key properties of [5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
[5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol has a molecular weight of 325.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 156832553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).