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

C13H21N3O2 — CID 114206260

IUPAC2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(C2(OC)CCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-3-7-14-8-10-9-15-12(16-11(10)17)13(18-2)5-4-6-13/h9,14H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyOEWBYDXRCWGBOT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.30
Rot. Bonds6

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

2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114206260) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114206260
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(C2(OC)CCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-3-7-14-8-10-9-15-12(16-11(10)17)13(18-2)5-4-6-13/h9,14H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyOEWBYDXRCWGBOT-UHFFFAOYSA-N
XLogP1.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.30
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-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 104189964
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
5-(aminomethyl)-2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 113563477
2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206190
2-(1-ethoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206192
2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206193
2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206201
2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206207
2-(2-ethoxybutan-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206217
5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 114206228
5-(ethylaminomethyl)-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 114206232
5-(ethylaminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 114206237

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one (CID 114206260) is 2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one is CCCNCc1cnc(C2(OC)CCC2)[nH]c1=O.
What is the InChIKey of 2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is OEWBYDXRCWGBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-7-14-8-10-9-15-12(16-11(10)17)13(18-2)5-4-6-13/h9,14H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).