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

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Related Compounds

4-N,4-N-dimethyl-1-N-(5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 137642189
1-N-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 137644945
1-N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 137651671
US11001586, Example 98
CID 146402958
[(3r)-1-(5-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)piperidin-3-Yl]methanol
CID 129900195
US11001586, Example 99
CID 146402971
1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 175667896
2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 175667994
1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 175667995
5-Ethyl-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 10487531
(3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 175667893
1-[[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 175667989

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).