N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride

C18H29ClN4O2S2 — CID 119607097

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride
SMILESCc1sc2nc(CSC(C)C(=O)NC(C)(CN)C(C)C)[nH]c(=O)c2c1C.Cl
InChIInChI=1S/C18H28N4O2S2.ClH/c1-9(2)18(6,8-19)22-15(23)12(5)25-7-13-20-16(24)14-10(3)11(4)26-17(14)21-13;/h9,12H,7-8,19H2,1-6H3,(H,22,23)(H,20,21,24);1H
InChIKeyHMAWSYONRFZQQG-UHFFFAOYSA-N
MW433.04 g/mol
LogP3.13
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride (PubChem CID 119607097) has the molecular formula C18H29ClN4O2S2 and a molecular weight of 433.04 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride
PubChem CID119607097
Molecular FormulaC18H29ClN4O2S2
Molecular Weight433.04 g/mol
Exact Mass432.14
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride
SMILESCc1sc2nc(CSC(C)C(=O)NC(C)(CN)C(C)C)[nH]c(=O)c2c1C.Cl
InChIInChI=1S/C18H28N4O2S2.ClH/c1-9(2)18(6,8-19)22-15(23)12(5)25-7-13-20-16(24)14-10(3)11(4)26-17(14)21-13;/h9,12H,7-8,19H2,1-6H3,(H,22,23)(H,20,21,24);1H
InChIKeyHMAWSYONRFZQQG-UHFFFAOYSA-N
XLogP3.13
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.04
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride with MolForge

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide
CID 119570208
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-methylpropanamide
CID 18106396
(2S)-N-cyclopropyl-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide
CID 7247195
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[2-(ethylamino)ethyl]propanamide
CID 119506821
[2-(methylamino)-2-oxoethyl] (2R)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 7624899
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N,N-dimethylpropanamide
CID 46652400
N-(2-aminophenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide
CID 119422290
4-[[(2R)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoyl]amino]benzamide
CID 7250296
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 7250493
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-hydroxyphenyl)propanamide
CID 18126252
N'-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoyl]-2-hydroxybenzohydrazide
CID 18109114
N'-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoyl]-2-methylbenzohydrazide
CID 46653030

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride (CID 119607097) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride is Cc1sc2nc(CSC(C)C(=O)NC(C)(CN)C(C)C)[nH]c(=O)c2c1C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride?
The InChIKey is HMAWSYONRFZQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S2.ClH/c1-9(2)18(6,8-19)22-15(23)12(5)25-7-13-20-16(24)14-10(3)11(4)26-17(14)21-13;/h9,12H,7-8,19H2,1-6H3,(H,22,23)(H,20,21,24);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride has a molecular weight of 433.04 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide;hydrochloride is sourced from PubChem (CID 119607097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).