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

C9H18N2O — CID 22116521

IUPAC5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol
SMILESCC(O)CCCC1=NCCCN1
InChIInChI=1S/C9H18N2O/c1-8(12)4-2-5-9-10-6-3-7-11-9/h8,12H,2-7H2,1H3,(H,10,11)
InChIKeyGTSWXUHQNHGOBG-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.93
Rot. Bonds4

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

5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol (PubChem CID 22116521) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol
PubChem CID22116521
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol
SMILESCC(O)CCCC1=NCCCN1
InChIInChI=1S/C9H18N2O/c1-8(12)4-2-5-9-10-6-3-7-11-9/h8,12H,2-7H2,1H3,(H,10,11)
InChIKeyGTSWXUHQNHGOBG-UHFFFAOYSA-N
XLogP0.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol?
The IUPAC name of 5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol (CID 22116521) is 5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol.
What is the SMILES notation for 5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol?
The canonical SMILES for 5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol is CC(O)CCCC1=NCCCN1.
What is the InChIKey of 5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol?
The InChIKey is GTSWXUHQNHGOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(12)4-2-5-9-10-6-3-7-11-9/h8,12H,2-7H2,1H3,(H,10,11).
What are the key properties of 5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol?
5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol has a molecular weight of 170.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentan-2-ol is sourced from PubChem (CID 22116521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).