7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride

C16H21ClN6O3 — CID 120855518

IUPAC7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)c2ccn(Cc3nc(C4(N)CCCC4)no3)c2n(C)c1=O
InChIInChI=1S/C16H20N6O3.ClH/c1-20-12-10(13(23)21(2)15(20)24)5-8-22(12)9-11-18-14(19-25-11)16(17)6-3-4-7-16;/h5,8H,3-4,6-7,9,17H2,1-2H3;1H
InChIKeyYUKRGJCSPRJVFI-UHFFFAOYSA-N
MW380.84 g/mol
LogP0.62
Rot. Bonds3

About 7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride

7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride (PubChem CID 120855518) has the molecular formula C16H21ClN6O3 and a molecular weight of 380.84 g/mol. Its IUPAC name is 7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride
PubChem CID120855518
Molecular FormulaC16H21ClN6O3
Molecular Weight380.84 g/mol
Exact Mass380.14
IUPAC Name7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)c2ccn(Cc3nc(C4(N)CCCC4)no3)c2n(C)c1=O
InChIInChI=1S/C16H20N6O3.ClH/c1-20-12-10(13(23)21(2)15(20)24)5-8-22(12)9-11-18-14(19-25-11)16(17)6-3-4-7-16;/h5,8H,3-4,6-7,9,17H2,1-2H3;1H
InChIKeyYUKRGJCSPRJVFI-UHFFFAOYSA-N
XLogP0.62
TPSA113.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120853321
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 120850991
1-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-bromopyridin-2-one;hydrochloride
CID 120860417
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 120859273
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 120855737
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120861919
1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-nitropyridin-2-one
CID 120857146
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851688
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120853033
1-[5-[(1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857193
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one
CID 120852283

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride (CID 120855518) is 7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride is Cl.Cn1c(=O)c2ccn(Cc3nc(C4(N)CCCC4)no3)c2n(C)c1=O.
What is the InChIKey of 7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is YUKRGJCSPRJVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3.ClH/c1-20-12-10(13(23)21(2)15(20)24)5-8-22(12)9-11-18-14(19-25-11)16(17)6-3-4-7-16;/h5,8H,3-4,6-7,9,17H2,1-2H3;1H.
What are the key properties of 7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride?
7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 380.84 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 120855518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).