2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol

C15H22N4O — CID 167813431

IUPAC2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
SMILESCCc1c[nH]c2ncnc(N3CCC(C(C)(C)O)C3)c12
InChIInChI=1S/C15H22N4O/c1-4-10-7-16-13-12(10)14(18-9-17-13)19-6-5-11(8-19)15(2,3)20/h7,9,11,20H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeyZIEQDZRRVIDJME-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.12
Rot. Bonds3

About 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol

2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol (PubChem CID 167813431) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
PubChem CID167813431
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
SMILESCCc1c[nH]c2ncnc(N3CCC(C(C)(C)O)C3)c12
InChIInChI=1S/C15H22N4O/c1-4-10-7-16-13-12(10)14(18-9-17-13)19-6-5-11(8-19)15(2,3)20/h7,9,11,20H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeyZIEQDZRRVIDJME-UHFFFAOYSA-N
XLogP2.12
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol (CID 167813431) is 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol is CCc1c[nH]c2ncnc(N3CCC(C(C)(C)O)C3)c12.
What is the InChIKey of 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol?
The InChIKey is ZIEQDZRRVIDJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-10-7-16-13-12(10)14(18-9-17-13)19-6-5-11(8-19)15(2,3)20/h7,9,11,20H,4-6,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol?
2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol has a molecular weight of 274.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 167813431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).