5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride

C10H14ClN5O3S — CID 52994541

IUPAC5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(CCN)o1.Cl
InChIInChI=1S/C10H13N5O3S.ClH/c1-5-6(8(16)13-9(17)12-5)4-19-10-15-14-7(18-10)2-3-11;/h2-4,11H2,1H3,(H2,12,13,16,17);1H
InChIKeyGZZAVKAYJFGAQN-UHFFFAOYSA-N
MW319.77 g/mol
LogP-0.03
Rot. Bonds5

About 5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride

5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 52994541) has the molecular formula C10H14ClN5O3S and a molecular weight of 319.77 g/mol. Its IUPAC name is 5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID52994541
Molecular FormulaC10H14ClN5O3S
Molecular Weight319.77 g/mol
Exact Mass319.05
IUPAC Name5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(CCN)o1.Cl
InChIInChI=1S/C10H13N5O3S.ClH/c1-5-6(8(16)13-9(17)12-5)4-19-10-15-14-7(18-10)2-3-11;/h2-4,11H2,1H3,(H2,12,13,16,17);1H
InChIKeyGZZAVKAYJFGAQN-UHFFFAOYSA-N
XLogP-0.03
TPSA130.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride (CID 52994541) is 5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride is Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(CCN)o1.Cl.
What is the InChIKey of 5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is GZZAVKAYJFGAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S.ClH/c1-5-6(8(16)13-9(17)12-5)4-19-10-15-14-7(18-10)2-3-11;/h2-4,11H2,1H3,(H2,12,13,16,17);1H.
What are the key properties of 5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride?
5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 319.77 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 52994541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).