4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C12H22N4O2 — CID 136730544

IUPAC4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCOCCN)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O2/c1-9(2)12-15-10(8-11(17)16-12)14-5-3-6-18-7-4-13/h8-9H,3-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyOGKRHSLXIMTCQH-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.67
Rot. Bonds8

About 4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136730544) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136730544
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCOCCN)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O2/c1-9(2)12-15-10(8-11(17)16-12)14-5-3-6-18-7-4-13/h8-9H,3-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyOGKRHSLXIMTCQH-UHFFFAOYSA-N
XLogP0.67
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136896836
2-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975762
2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
2-(2-Aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
CID 84700723
2-propan-2-yl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604863
2-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604868
4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586300
4-[1-(methylamino)propan-2-yloxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586310
4-[2-(ethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586329
4-(2-aminoethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586357
4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586367

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136730544) is 4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCCOCCN)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OGKRHSLXIMTCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(2)12-15-10(8-11(17)16-12)14-5-3-6-18-7-4-13/h8-9H,3-7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).