4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol

C15H17N5O — CID 25164970

IUPAC4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol
SMILESNc1nc(CCCCO)cc(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C15H17N5O/c16-15-19-10(4-1-2-7-21)8-13(20-15)12-9-18-14-11(12)5-3-6-17-14/h3,5-6,8-9,21H,1-2,4,7H2,(H,17,18)(H2,16,19,20)
InChIKeyJORQZEAAPPHRPP-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.92
Rot. Bonds5

About 4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol

4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol (PubChem CID 25164970) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol
PubChem CID25164970
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol
SMILESNc1nc(CCCCO)cc(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C15H17N5O/c16-15-19-10(4-1-2-7-21)8-13(20-15)12-9-18-14-11(12)5-3-6-17-14/h3,5-6,8-9,21H,1-2,4,7H2,(H,17,18)(H2,16,19,20)
InChIKeyJORQZEAAPPHRPP-UHFFFAOYSA-N
XLogP1.92
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164369
4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164771
4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;methane;pent-2-ynoyl chloride;1H-pyrrolo[2,3-b]pyridine;1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one;trichloroalumane
CID 158816347
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine
CID 53269660
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 129206992
5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 127049686
4-[7-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 169419894
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indol-5-ol
CID 58797909
4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58425566
4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 67041077

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol?
The IUPAC name of 4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol (CID 25164970) is 4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol.
What is the SMILES notation for 4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol?
The canonical SMILES for 4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol is Nc1nc(CCCCO)cc(-c2c[nH]c3ncccc23)n1.
What is the InChIKey of 4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol?
The InChIKey is JORQZEAAPPHRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-15-19-10(4-1-2-7-21)8-13(20-15)12-9-18-14-11(12)5-3-6-17-14/h3,5-6,8-9,21H,1-2,4,7H2,(H,17,18)(H2,16,19,20).
What are the key properties of 4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol?
4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol has a molecular weight of 283.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]butan-1-ol is sourced from PubChem (CID 25164970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).