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

C16H19ClN6O3 — CID 120853321

IUPAC7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)c2ccc(-c3nc(C4(N)CCCC4)no3)nc2n(C)c1=O
InChIInChI=1S/C16H18N6O3.ClH/c1-21-11-9(13(23)22(2)15(21)24)5-6-10(18-11)12-19-14(20-25-12)16(17)7-3-4-8-16;/h5-6H,3-4,7-8,17H2,1-2H3;1H
InChIKeyRBRWRNNNUMEJGO-UHFFFAOYSA-N
MW378.82 g/mol
LogP0.83
Rot. Bonds2

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

7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride (PubChem CID 120853321) has the molecular formula C16H19ClN6O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
PubChem CID120853321
Molecular FormulaC16H19ClN6O3
Molecular Weight378.82 g/mol
Exact Mass378.12
IUPAC Name7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)c2ccc(-c3nc(C4(N)CCCC4)no3)nc2n(C)c1=O
InChIInChI=1S/C16H18N6O3.ClH/c1-21-11-9(13(23)22(2)15(21)24)5-6-10(18-11)12-19-14(20-25-12)16(17)7-3-4-8-16;/h5-6H,3-4,7-8,17H2,1-2H3;1H
InChIKeyRBRWRNNNUMEJGO-UHFFFAOYSA-N
XLogP0.83
TPSA121.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855462
1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855463
1-[5-(1-methyl-5-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850853
7-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120855518
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 55132350
1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850752
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65198755
1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 51109198
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854985
1-[5-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855275

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride (CID 120853321) is 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride is Cl.Cn1c(=O)c2ccc(-c3nc(C4(N)CCCC4)no3)nc2n(C)c1=O.
What is the InChIKey of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is RBRWRNNNUMEJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3.ClH/c1-21-11-9(13(23)22(2)15(21)24)5-6-10(18-11)12-19-14(20-25-12)16(17)7-3-4-8-16;/h5-6H,3-4,7-8,17H2,1-2H3;1H.
What are the key properties of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 378.82 g/mol, XLogP of 0.83, 2 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]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 120853321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).