4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one

C11H20N4O2 — CID 137005097

IUPAC4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one
SMILESCC(C)N(CCOCCN)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H20N4O2/c1-9(2)15(4-6-17-5-3-12)10-7-11(16)14-8-13-10/h7-9H,3-6,12H2,1-2H3,(H,13,14,16)
InChIKeyQFBBECWCIULEEX-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.04
Rot. Bonds7

About 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one

4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one (PubChem CID 137005097) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one
PubChem CID137005097
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one
SMILESCC(C)N(CCOCCN)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H20N4O2/c1-9(2)15(4-6-17-5-3-12)10-7-11(16)14-8-13-10/h7-9H,3-6,12H2,1-2H3,(H,13,14,16)
InChIKeyQFBBECWCIULEEX-UHFFFAOYSA-N
XLogP-0.04
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one (CID 137005097) is 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one is CC(C)N(CCOCCN)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one?
The InChIKey is QFBBECWCIULEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9(2)15(4-6-17-5-3-12)10-7-11(16)14-8-13-10/h7-9H,3-6,12H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one?
4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethoxy)ethyl-propan-2-ylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137005097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).