5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C14H23N3O2 — CID 136696573

IUPAC5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCOC1(CNC(C)c2c(C)nc(C)[nH]c2=O)CCC1
InChIInChI=1S/C14H23N3O2/c1-9(15-8-14(19-4)6-5-7-14)12-10(2)16-11(3)17-13(12)18/h9,15H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyATARRJJMVNPNOU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.61
Rot. Bonds5

About 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136696573) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136696573
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCOC1(CNC(C)c2c(C)nc(C)[nH]c2=O)CCC1
InChIInChI=1S/C14H23N3O2/c1-9(15-8-14(19-4)6-5-7-14)12-10(2)16-11(3)17-13(12)18/h9,15H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyATARRJJMVNPNOU-UHFFFAOYSA-N
XLogP1.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135970649
5-[1-(4-methoxybutylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135973735
methyl (2S)-2-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-3-methylbutanoate
CID 136051080
2,4-dimethyl-5-[1-(pentylamino)ethyl]-1H-pyrimidin-6-one
CID 136091183
5-[1-(1-methoxypropan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091195
2,4-dimethyl-5-[1-(oxolan-2-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136091262
5-[1-(2-methoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091313
5-[1-(cyclobutylmethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091368
methyl 2-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-3-methylbutanoate
CID 136091372
5-[1-(2-ethoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091378
5-[1-(1-methoxybutan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136115733
5-[1-(1-methoxypentan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136115739

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136696573) is 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is COC1(CNC(C)c2c(C)nc(C)[nH]c2=O)CCC1.
What is the InChIKey of 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is ATARRJJMVNPNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(15-8-14(19-4)6-5-7-14)12-10(2)16-11(3)17-13(12)18/h9,15H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136696573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).