4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one

C10H17N3O2 — CID 105465050

IUPAC4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
SMILESCNCCCc1nc(OC)c(C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7-9(14)12-8(5-4-6-11-2)13-10(7)15-3/h11H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyAGHZHYIVXOTFCK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.24
Rot. Bonds5

About 4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one

4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one (PubChem CID 105465050) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
PubChem CID105465050
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
SMILESCNCCCc1nc(OC)c(C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7-9(14)12-8(5-4-6-11-2)13-10(7)15-3/h11H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyAGHZHYIVXOTFCK-UHFFFAOYSA-N
XLogP0.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one
CID 12945283
2-(3-aminopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554639
5-ethyl-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 63555534
6-Hydroxy-5-methyl-2-(2-(methylamino)ethyl)pyrimidin-4(3h)-one
CID 63555706
2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612609
2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
CID 105434063
4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 105440514
2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
CID 105440515
2-(3-aminopropyl)-4-methoxy-1H-pyrimidin-6-one
CID 105440520
2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
CID 105440521
2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
CID 105450681
4-methoxy-5-methyl-2-[1-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 105450683

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one (CID 105465050) is 4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one is CNCCCc1nc(OC)c(C)c(=O)[nH]1.
What is the InChIKey of 4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one?
The InChIKey is AGHZHYIVXOTFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-9(14)12-8(5-4-6-11-2)13-10(7)15-3/h11H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one?
4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 105465050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).