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

C12H21N3O2 — CID 114206264

IUPAC2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(CC(C)OC)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-4-5-13-7-10-8-14-11(15-12(10)16)6-9(2)17-3/h8-9,13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyITDNSHDTURMCFQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.85
Rot. Bonds7

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

2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114206264) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114206264
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(CC(C)OC)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-4-5-13-7-10-8-14-11(15-12(10)16)6-9(2)17-3/h8-9,13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyITDNSHDTURMCFQ-UHFFFAOYSA-N
XLogP0.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.85
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-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103151251
5-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103151252
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
4-Hydroxy-N-(3-isopropoxypropyl)-2-methylpyrimidine-5-carboxamide
CID 72934942
2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74230436
N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
CID 76852062
5-(aminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 82503030
5-(methylaminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 84110338
5-(methylaminomethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 84114363
5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102929357
5-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 104189905

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one (CID 114206264) is 2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one is CCCNCc1cnc(CC(C)OC)[nH]c1=O.
What is the InChIKey of 2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is ITDNSHDTURMCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-5-13-7-10-8-14-11(15-12(10)16)6-9(2)17-3/h8-9,13H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).