5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one

C11H19N3O3 — CID 114586393

IUPAC5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCCCNC(C)C)nc[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-8(2)12-5-4-6-17-11-9(16-3)10(15)13-7-14-11/h7-8,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyWCBJGCONWZYLFO-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.55
Rot. Bonds7

About 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one

5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one (PubChem CID 114586393) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
PubChem CID114586393
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCCCNC(C)C)nc[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-8(2)12-5-4-6-17-11-9(16-3)10(15)13-7-14-11/h7-8,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyWCBJGCONWZYLFO-UHFFFAOYSA-N
XLogP0.55
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-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-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 102741498
4-ethoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240575
5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240677
5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
CID 103240686
5-methoxy-4-propoxy-1H-pyrimidin-6-one
CID 103240822
4-butoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240832
5-methoxy-4-pentoxy-1H-pyrimidin-6-one
CID 103240845
4-butan-2-yloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240856
5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 103240869
4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241380
4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241415

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one (CID 114586393) is 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one is COc1c(OCCCNC(C)C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one?
The InChIKey is WCBJGCONWZYLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(2)12-5-4-6-17-11-9(16-3)10(15)13-7-14-11/h7-8,12H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one?
5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).