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

C11H17N3O2S — CID 136762593

IUPAC5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(SC)CCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2S/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)
InChIKeyJWPGPWGXJXKZPY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.48
Rot. Bonds5

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

5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762593) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762593
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(SC)CCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2S/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)
InChIKeyJWPGPWGXJXKZPY-UHFFFAOYSA-N
XLogP1.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
5-methoxy-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723618
5-methoxy-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730575
5-methoxy-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730585
5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762574
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136762583
5-methoxy-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762611
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805775
4-[(2-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136811842
5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823719
5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857184
4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136868732

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136762593) is 5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2(SC)CCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is JWPGPWGXJXKZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/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-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 255.34 g/mol, XLogP of 1.48, 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-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).