(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride

C13H19Cl2N5OS — CID 119842603

IUPAC(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(c2ncnc3sccc23)CC1.Cl.Cl
InChIInChI=1S/C13H17N5OS.2ClH/c1-9(14)13(19)18-5-3-17(4-6-18)11-10-2-7-20-12(10)16-8-15-11;;/h2,7-9H,3-6,14H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyZXUMYAQKTMNIHA-KLQYNRQASA-N
MW364.30 g/mol
LogP1.53
Rot. Bonds2

About (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride

(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride (PubChem CID 119842603) has the molecular formula C13H19Cl2N5OS and a molecular weight of 364.30 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
PubChem CID119842603
Molecular FormulaC13H19Cl2N5OS
Molecular Weight364.30 g/mol
Exact Mass363.07
IUPAC Name(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(c2ncnc3sccc23)CC1.Cl.Cl
InChIInChI=1S/C13H17N5OS.2ClH/c1-9(14)13(19)18-5-3-17(4-6-18)11-10-2-7-20-12(10)16-8-15-11;;/h2,7-9H,3-6,14H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyZXUMYAQKTMNIHA-KLQYNRQASA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride with MolForge

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Related Compounds

bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
2-amino-3-phenyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842585
2-cyclopropyl-2-methoxy-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 136538650
(4-methylphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 20849648
(1-aminocyclohexyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119842621
2-methoxy-2-methyl-3-oxo-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanoic acid
CID 136552694
5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120684892
(3-aminocyclopentyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842588
(3-aminocyclohexyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119842591
2-(2-methoxyethylamino)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119842629
2-(4-aminophenyl)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 119842582
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 119840120

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride (CID 119842603) is (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride is C[C@@H](N)C(=O)N1CCN(c2ncnc3sccc23)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is ZXUMYAQKTMNIHA-KLQYNRQASA-N. The full InChI is InChI=1S/C13H17N5OS.2ClH/c1-9(14)13(19)18-5-3-17(4-6-18)11-10-2-7-20-12(10)16-8-15-11;;/h2,7-9H,3-6,14H2,1H3;2*1H/t9-;;/m1../s1.
What are the key properties of (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 364.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 119842603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).