5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one

C14H22N4O2 — CID 136974398

IUPAC5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CC3CCC(C2)N3C)nc[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-18-10-3-4-11(18)6-9(5-10)7-15-13-12(20-2)14(19)17-8-16-13/h8-11H,3-7H2,1-2H3,(H2,15,16,17,19)
InChIKeyKRQQPQBQJOXOBA-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.06
Rot. Bonds4

About 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974398) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974398
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CC3CCC(C2)N3C)nc[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-18-10-3-4-11(18)6-9(5-10)7-15-13-12(20-2)14(19)17-8-16-13/h8-11H,3-7H2,1-2H3,(H2,15,16,17,19)
InChIKeyKRQQPQBQJOXOBA-UHFFFAOYSA-N
XLogP1.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974394
5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975085
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136989825
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975876
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964222
5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 136876834

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136974398) is 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2CC3CCC(C2)N3C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is KRQQPQBQJOXOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18-10-3-4-11(18)6-9(5-10)7-15-13-12(20-2)14(19)17-8-16-13/h8-11H,3-7H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).