3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one

C12H19N3O2 — CID 55236843

IUPAC3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)CNC2CC2)c(C)n1
InChIInChI=1S/C12H19N3O2/c1-8-5-12(17)15(9(2)14-8)7-11(16)6-13-10-3-4-10/h5,10-11,13,16H,3-4,6-7H2,1-2H3
InChIKeyDFIXOAKKOLXBBS-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.03
Rot. Bonds5

About 3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one

3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 55236843) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
PubChem CID55236843
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)CNC2CC2)c(C)n1
InChIInChI=1S/C12H19N3O2/c1-8-5-12(17)15(9(2)14-8)7-11(16)6-13-10-3-4-10/h5,10-11,13,16H,3-4,6-7H2,1-2H3
InChIKeyDFIXOAKKOLXBBS-UHFFFAOYSA-N
XLogP-0.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one (CID 55236843) is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(O)CNC2CC2)c(C)n1.
What is the InChIKey of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is DFIXOAKKOLXBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-5-12(17)15(9(2)14-8)7-11(16)6-13-10-3-4-10/h5,10-11,13,16H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one?
3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 55236843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).