2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride

C10H14ClN3OS — CID 47000740

IUPAC2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCc1sc2nc(CCN)[nH]c(=O)c2c1C.Cl
InChIInChI=1S/C10H13N3OS.ClH/c1-5-6(2)15-10-8(5)9(14)12-7(13-10)3-4-11;/h3-4,11H2,1-2H3,(H,12,13,14);1H
InChIKeyLRCXXAHVZGIQPA-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.52
Rot. Bonds2

About 2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride

2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride (PubChem CID 47000740) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
PubChem CID47000740
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCc1sc2nc(CCN)[nH]c(=O)c2c1C.Cl
InChIInChI=1S/C10H13N3OS.ClH/c1-5-6(2)15-10-8(5)9(14)12-7(13-10)3-4-11;/h3-4,11H2,1-2H3,(H,12,13,14);1H
InChIKeyLRCXXAHVZGIQPA-UHFFFAOYSA-N
XLogP1.52
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-aminoacetate
CID 71305221
2-[(4-chlorophenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890246
2-(2-aminoethylsulfanyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146468
2-(diethylaminomethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2452307
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl carbamimidothioate
CID 65212395
N-(2-aminoethyl)-3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886753
2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47019420
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]acetamide
CID 43090388
5,6-dimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 119400818
5,6-dimethyl-2-[(3-methylpentan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 103864801
2-(3-aminopropylamino)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 155816850
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]-2-methylpropanamide
CID 61220767

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride (CID 47000740) is 2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride is Cc1sc2nc(CCN)[nH]c(=O)c2c1C.Cl.
What is the InChIKey of 2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The InChIKey is LRCXXAHVZGIQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS.ClH/c1-5-6(2)15-10-8(5)9(14)12-7(13-10)3-4-11;/h3-4,11H2,1-2H3,(H,12,13,14);1H.
What are the key properties of 2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride?
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride has a molecular weight of 259.76 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 47000740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).