2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one

C12H21N3O2 — CID 114206272

IUPAC2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(COCCC)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-3-5-13-7-10-8-14-11(15-12(10)16)9-17-6-4-2/h8,13H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyOYMWKUPUGJFCGC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.20
Rot. Bonds8

About 2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one

2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114206272) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114206272
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(COCCC)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-3-5-13-7-10-8-14-11(15-12(10)16)9-17-6-4-2/h8,13H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyOYMWKUPUGJFCGC-UHFFFAOYSA-N
XLogP1.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.20
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

5-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103477020
5-(aminomethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103477021
2-[2-(2,2-difluoroethoxy)ethyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206255
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 69107840
2-(Methoxymethyl)-5-methylpyrimidin-4(3H)-one
CID 71351742
2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 144556016
2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 151093895
4-Hydroxy-N,N-bis(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide
CID 72897875
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
4-Hydroxy-N-(3-isopropoxypropyl)-2-methylpyrimidine-5-carboxamide
CID 72934942
2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342

Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one (CID 114206272) is 2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one is CCCNCc1cnc(COCCC)[nH]c1=O.
What is the InChIKey of 2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is OYMWKUPUGJFCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-5-13-7-10-8-14-11(15-12(10)16)9-17-6-4-2/h8,13H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).