3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol

C17H23N5O — CID 72792977

IUPAC3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCCNc1ncc(-c2ccccn2)c(NC2CC(O)C2)n1
InChIInChI=1S/C17H23N5O/c1-2-3-7-19-17-20-11-14(15-6-4-5-8-18-15)16(22-17)21-12-9-13(23)10-12/h4-6,8,11-13,23H,2-3,7,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyZUKWHYJJSUVIEH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds7

About 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol

3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 72792977) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID72792977
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCCNc1ncc(-c2ccccn2)c(NC2CC(O)C2)n1
InChIInChI=1S/C17H23N5O/c1-2-3-7-19-17-20-11-14(15-6-4-5-8-18-15)16(22-17)21-12-9-13(23)10-12/h4-6,8,11-13,23H,2-3,7,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyZUKWHYJJSUVIEH-UHFFFAOYSA-N
XLogP2.69
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol (CID 72792977) is 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol is CCCCNc1ncc(-c2ccccn2)c(NC2CC(O)C2)n1.
What is the InChIKey of 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is ZUKWHYJJSUVIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-3-7-19-17-20-11-14(15-6-4-5-8-18-15)16(22-17)21-12-9-13(23)10-12/h4-6,8,11-13,23H,2-3,7,9-10H2,1H3,(H2,19,20,21,22).
What are the key properties of 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol?
3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 313.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 72792977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).