5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one

C17H18N6O2 — CID 137031692

IUPAC5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1Cc1nc(C2(N)CCC2)no1
InChIInChI=1S/C17H18N6O2/c1-10-12(8-13-21-16(23-25-13)17(18)5-3-6-17)15(24)22-14(20-10)11-4-2-7-19-9-11/h2,4,7,9H,3,5-6,8,18H2,1H3,(H,20,22,24)
InChIKeyFGXBLTAIEZHFEN-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.45
Rot. Bonds4

About 5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one

5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 137031692) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID137031692
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1Cc1nc(C2(N)CCC2)no1
InChIInChI=1S/C17H18N6O2/c1-10-12(8-13-21-16(23-25-13)17(18)5-3-6-17)15(24)22-14(20-10)11-4-2-7-19-9-11/h2,4,7,9H,3,5-6,8,18H2,1H3,(H,20,22,24)
InChIKeyFGXBLTAIEZHFEN-UHFFFAOYSA-N
XLogP1.45
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137095588
1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850191
5-[2-(2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137091921
5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137127795
N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride
CID 137078584
4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 137064323
N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide
CID 137078585
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide;dihydrochloride
CID 137081429
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide
CID 136793208
N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137030010
4-[[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]amino]thiane-4-carboxylic acid
CID 137059031

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 137031692) is 5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one is Cc1nc(-c2cccnc2)[nH]c(=O)c1Cc1nc(C2(N)CCC2)no1.
What is the InChIKey of 5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is FGXBLTAIEZHFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-12(8-13-21-16(23-25-13)17(18)5-3-6-17)15(24)22-14(20-10)11-4-2-7-19-9-11/h2,4,7,9H,3,5-6,8,18H2,1H3,(H,20,22,24).
What are the key properties of 5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one?
5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 338.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137031692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).