5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one

C11H17N3O3 — CID 136696644

IUPAC5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(OC)CCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-8-9(13-7-14-10(8)15)12-6-11(17-2)4-3-5-11/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyNHJQBPIPPWIPJL-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.76
Rot. Bonds5

About 5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136696644) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136696644
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(OC)CCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-8-9(13-7-14-10(8)15)12-6-11(17-2)4-3-5-11/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyNHJQBPIPPWIPJL-UHFFFAOYSA-N
XLogP0.76
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136696644) is 5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2(OC)CCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is NHJQBPIPPWIPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-8-9(13-7-14-10(8)15)12-6-11(17-2)4-3-5-11/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).