6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride

C13H19ClFN3O2S — CID 134305614

IUPAC6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCc1c(CN)sc2c1c(=O)n(C(C)C)c(=O)n2CCF.Cl
InChIInChI=1S/C13H18FN3O2S.ClH/c1-7(2)17-11(18)10-8(3)9(6-15)20-12(10)16(5-4-14)13(17)19;/h7H,4-6,15H2,1-3H3;1H
InChIKeyPZNLFTIODVONCL-UHFFFAOYSA-N
MW335.83 g/mol
LogP1.96
Rot. Bonds4

About 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride

6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride (PubChem CID 134305614) has the molecular formula C13H19ClFN3O2S and a molecular weight of 335.83 g/mol. Its IUPAC name is 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride
PubChem CID134305614
Molecular FormulaC13H19ClFN3O2S
Molecular Weight335.83 g/mol
Exact Mass335.09
IUPAC Name6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCc1c(CN)sc2c1c(=O)n(C(C)C)c(=O)n2CCF.Cl
InChIInChI=1S/C13H18FN3O2S.ClH/c1-7(2)17-11(18)10-8(3)9(6-15)20-12(10)16(5-4-14)13(17)19;/h7H,4-6,15H2,1-3H3;1H
InChIKeyPZNLFTIODVONCL-UHFFFAOYSA-N
XLogP1.96
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride with MolForge

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Related Compounds

6-(aminomethyl)-5-methyl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 122575403
6-[(2-aminoethylamino)methyl]-5-methyl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 122575256
6-[(2-aminoethylamino)methyl]-5-methyl-3-(1,1,1-trifluoropropan-2-yl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 122575228
1-(2-methoxyethyl)-5-methyl-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione
CID 137026524
6-[(E)-hydroxyiminomethyl]-5-methyl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 140848218
6-[(2-aminoethylamino)methyl]-5-methyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 122574629
1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimidazolidin-1-yl)methyl]-3-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134318488
5-methyl-2,4-dioxo-3-(1,1,1-trifluoropropan-2-yl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carbaldehyde
CID 134305458
1-(2-fluoroethyl)-5-methyl-3-(2-methylcyclopropyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134367522
tert-butyl-[3-ethoxyprop-2-enoyl-[[5-methyl-2,4-dioxo-3-propan-2-yl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methyl]amino]carbamic acid
CID 122574921
5-methyl-6-[(2-methyliminoimidazolidin-1-yl)methyl]-3-(1,1,1-trifluoropropan-2-yl)-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 137276730
6-[(2-aminoethylamino)methyl]-3-ethyl-1-(fluoromethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134305386

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride (CID 134305614) is 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride is Cc1c(CN)sc2c1c(=O)n(C(C)C)c(=O)n2CCF.Cl.
What is the InChIKey of 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is PZNLFTIODVONCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2S.ClH/c1-7(2)17-11(18)10-8(3)9(6-15)20-12(10)16(5-4-14)13(17)19;/h7H,4-6,15H2,1-3H3;1H.
What are the key properties of 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride?
6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-(2-fluoroethyl)-5-methyl-3-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 134305614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).