4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol

C18H21N5O2 — CID 18792918

IUPAC4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
SMILESNc1ncnc2c1c(-c1ccc(O)cc1)cn2C1CCN(CCO)C1
InChIInChI=1S/C18H21N5O2/c19-17-16-15(12-1-3-14(25)4-2-12)10-23(18(16)21-11-20-17)13-5-6-22(9-13)7-8-24/h1-4,10-11,13,24-25H,5-9H2,(H2,19,20,21)
InChIKeyFFVGSHKYYTWCNP-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.63
Rot. Bonds4

About 4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol

4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol (PubChem CID 18792918) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
PubChem CID18792918
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
SMILESNc1ncnc2c1c(-c1ccc(O)cc1)cn2C1CCN(CCO)C1
InChIInChI=1S/C18H21N5O2/c19-17-16-15(12-1-3-14(25)4-2-12)10-23(18(16)21-11-20-17)13-5-6-22(9-13)7-8-24/h1-4,10-11,13,24-25H,5-9H2,(H2,19,20,21)
InChIKeyFFVGSHKYYTWCNP-UHFFFAOYSA-N
XLogP1.63
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The IUPAC name of 4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol (CID 18792918) is 4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol.
What is the SMILES notation for 4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The canonical SMILES for 4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol is Nc1ncnc2c1c(-c1ccc(O)cc1)cn2C1CCN(CCO)C1.
What is the InChIKey of 4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The InChIKey is FFVGSHKYYTWCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c19-17-16-15(12-1-3-14(25)4-2-12)10-23(18(16)21-11-20-17)13-5-6-22(9-13)7-8-24/h1-4,10-11,13,24-25H,5-9H2,(H2,19,20,21).
What are the key properties of 4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol has a molecular weight of 339.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-7-[1-(2-hydroxyethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol is sourced from PubChem (CID 18792918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).