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

C11H17N3O2 — CID 136857184

IUPAC5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C)CCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-11(4-3-5-11)6-12-9-8(16-2)10(15)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyXJJWHUYSNLLCSD-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.38
Rot. Bonds4

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

5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136857184) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136857184
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C)CCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-11(4-3-5-11)6-12-9-8(16-2)10(15)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyXJJWHUYSNLLCSD-UHFFFAOYSA-N
XLogP1.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696608
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136696615
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756212
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136857184) is 5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2(C)CCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is XJJWHUYSNLLCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(4-3-5-11)6-12-9-8(16-2)10(15)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136857184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).