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

C17H25N5O — CID 72793043

IUPAC4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
SMILESCCCCNc1ncc(-c2ccccn2)c(NCCCCO)n1
InChIInChI=1S/C17H25N5O/c1-2-3-9-20-17-21-13-14(15-8-4-5-10-18-15)16(22-17)19-11-6-7-12-23/h4-5,8,10,13,23H,2-3,6-7,9,11-12H2,1H3,(H2,19,20,21,22)
InChIKeyKKAICBOHJLVDCE-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.93
Rot. Bonds10

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

4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol (PubChem CID 72793043) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
PubChem CID72793043
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
SMILESCCCCNc1ncc(-c2ccccn2)c(NCCCCO)n1
InChIInChI=1S/C17H25N5O/c1-2-3-9-20-17-21-13-14(15-8-4-5-10-18-15)16(22-17)19-11-6-7-12-23/h4-5,8,10,13,23H,2-3,6-7,9,11-12H2,1H3,(H2,19,20,21,22)
InChIKeyKKAICBOHJLVDCE-UHFFFAOYSA-N
XLogP2.93
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.93
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 4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol (CID 72793043) is 4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol is CCCCNc1ncc(-c2ccccn2)c(NCCCCO)n1.
What is the InChIKey of 4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is KKAICBOHJLVDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-2-3-9-20-17-21-13-14(15-8-4-5-10-18-15)16(22-17)19-11-6-7-12-23/h4-5,8,10,13,23H,2-3,6-7,9,11-12H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol?
4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 315.42 g/mol, XLogP of 2.93, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 72793043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).