4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol

C8H16N2O — CID 22116520

IUPAC4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol
SMILESOCCCCC1=NCCCN1
InChIInChI=1S/C8H16N2O/c11-7-2-1-4-8-9-5-3-6-10-8/h11H,1-7H2,(H,9,10)
InChIKeyOCSBENAZTJSSDZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.54
Rot. Bonds4

About 4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol

4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol (PubChem CID 22116520) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol
PubChem CID22116520
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol
SMILESOCCCCC1=NCCCN1
InChIInChI=1S/C8H16N2O/c11-7-2-1-4-8-9-5-3-6-10-8/h11H,1-7H2,(H,9,10)
InChIKeyOCSBENAZTJSSDZ-UHFFFAOYSA-N
XLogP0.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol?
The IUPAC name of 4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol (CID 22116520) is 4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol.
What is the SMILES notation for 4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol?
The canonical SMILES for 4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol is OCCCCC1=NCCCN1.
What is the InChIKey of 4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol?
The InChIKey is OCSBENAZTJSSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-7-2-1-4-8-9-5-3-6-10-8/h11H,1-7H2,(H,9,10).
What are the key properties of 4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol?
4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,5,6-tetrahydropyrimidin-2-yl)butan-1-ol is sourced from PubChem (CID 22116520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).