5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one

C16H23N5O2 — CID 137031594

IUPAC5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1-c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C16H23N5O2/c1-9-10(11(22)19-13(18-9)15(2,3)4)12-20-14(21-23-12)16(17)7-5-6-8-16/h5-8,17H2,1-4H3,(H,18,19,22)
InChIKeyIPTVKDZTNAQZMJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.15
Rot. Bonds2

About 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one

5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 137031594) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
PubChem CID137031594
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1-c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C16H23N5O2/c1-9-10(11(22)19-13(18-9)15(2,3)4)12-20-14(21-23-12)16(17)7-5-6-8-16/h5-8,17H2,1-4H3,(H,18,19,22)
InChIKeyIPTVKDZTNAQZMJ-UHFFFAOYSA-N
XLogP2.15
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860215
1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854491
1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851440
1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851272
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863974
1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857026
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104672150
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114560827
1-[5-(1-tert-butylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854261
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one (CID 137031594) is 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one is Cc1nc(C(C)(C)C)[nH]c(=O)c1-c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is IPTVKDZTNAQZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-9-10(11(22)19-13(18-9)15(2,3)4)12-20-14(21-23-12)16(17)7-5-6-8-16/h5-8,17H2,1-4H3,(H,18,19,22).
What are the key properties of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one?
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 317.39 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137031594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).