7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride

C13H21ClN4OS — CID 119928870

IUPAC7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCN(Cc1cc(=O)n2ccsc2n1)CC(C)(C)CN.Cl
InChIInChI=1S/C13H20N4OS.ClH/c1-13(2,8-14)9-16(3)7-10-6-11(18)17-4-5-19-12(17)15-10;/h4-6H,7-9,14H2,1-3H3;1H
InChIKeyPSYIZONZISLLRG-UHFFFAOYSA-N
MW316.86 g/mol
LogP1.59
Rot. Bonds5

About 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride

7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (PubChem CID 119928870) has the molecular formula C13H21ClN4OS and a molecular weight of 316.86 g/mol. Its IUPAC name is 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
PubChem CID119928870
Molecular FormulaC13H21ClN4OS
Molecular Weight316.86 g/mol
Exact Mass316.11
IUPAC Name7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCN(Cc1cc(=O)n2ccsc2n1)CC(C)(C)CN.Cl
InChIInChI=1S/C13H20N4OS.ClH/c1-13(2,8-14)9-16(3)7-10-6-11(18)17-4-5-19-12(17)15-10;/h4-6H,7-9,14H2,1-3H3;1H
InChIKeyPSYIZONZISLLRG-UHFFFAOYSA-N
XLogP1.59
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.86
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride with MolForge

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Related Compounds

7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62686087
7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62332981
2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119928920
7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119915215
7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458009
2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 79645513
7-[[cyclopentyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51282017
3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
CID 60834789
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
7-[[cyclohexyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
7-[[methyl-(4-methylcyclohexyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47113217
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9338173

Frequently Asked Questions

What is the IUPAC name of 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (CID 119928870) is 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is CN(Cc1cc(=O)n2ccsc2n1)CC(C)(C)CN.Cl.
What is the InChIKey of 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The InChIKey is PSYIZONZISLLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS.ClH/c1-13(2,8-14)9-16(3)7-10-6-11(18)17-4-5-19-12(17)15-10;/h4-6H,7-9,14H2,1-3H3;1H.
What are the key properties of 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride has a molecular weight of 316.86 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 119928870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).