3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one

C11H19N3O2 — CID 61224752

IUPAC3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)CNC(C)C)cn1
InChIInChI=1S/C11H19N3O2/c1-8(2)12-5-10(15)6-14-7-13-9(3)4-11(14)16/h4,7-8,10,12,15H,5-6H2,1-3H3
InChIKeyHFDWGYLIBJOHLJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.09
Rot. Bonds5

About 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one

3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one (PubChem CID 61224752) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one
PubChem CID61224752
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)CNC(C)C)cn1
InChIInChI=1S/C11H19N3O2/c1-8(2)12-5-10(15)6-14-7-13-9(3)4-11(14)16/h4,7-8,10,12,15H,5-6H2,1-3H3
InChIKeyHFDWGYLIBJOHLJ-UHFFFAOYSA-N
XLogP-0.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Fluoro-2-hydroxypropyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 165595265
N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
CID 141405072
3-[3-(Cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
CID 55236843
3-(3-Amino-2-hydroxypropyl)-6-methylpyrimidin-4-one
CID 61224563
3-[2-Hydroxy-3-(methylamino)propyl]-6-methylpyrimidin-4-one
CID 61224564
3-[3-(Cyclopropylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one
CID 61224565
3-[3-(Ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one
CID 61224566
3-[2-Hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one
CID 61224753
N-(2-hydroxyethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61225522
3-(2-Hydroxypropyl)-6-methylpyrimidin-4-one
CID 61225524
3-(2-Hydroxybutyl)-6-methylpyrimidin-4-one
CID 61225714
6-Methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one
CID 61387802

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one (CID 61224752) is 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(O)CNC(C)C)cn1.
What is the InChIKey of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one?
The InChIKey is HFDWGYLIBJOHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)12-5-10(15)6-14-7-13-9(3)4-11(14)16/h4,7-8,10,12,15H,5-6H2,1-3H3.
What are the key properties of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one?
3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one has a molecular weight of 225.29 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 61224752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).