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

C10H18N4O2 — CID 136730547

IUPAC4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCOCCN)cc(=O)[nH]1
InChIInChI=1S/C10H18N4O2/c1-8-13-9(7-10(15)14-8)12-4-2-5-16-6-3-11/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyUNSIDASCJLXMPK-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.14
Rot. Bonds7

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

4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136730547) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136730547
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCOCCN)cc(=O)[nH]1
InChIInChI=1S/C10H18N4O2/c1-8-13-9(7-10(15)14-8)12-4-2-5-16-6-3-11/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyUNSIDASCJLXMPK-UHFFFAOYSA-N
XLogP-0.14
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136896828
4-[2-(2,2-difluoroethoxy)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136896836
2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956679
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
4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 167804464
4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113
2-(2-Aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
CID 84700723
2-ethyl-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586327
2-ethyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586337
2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586342

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one (CID 136730547) is 4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCCOCCN)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UNSIDASCJLXMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8-13-9(7-10(15)14-8)12-4-2-5-16-6-3-11/h7H,2-6,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of -0.14, 7 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).