1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one

C15H16N4OS — CID 62193274

IUPAC1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one
SMILESCCNc1nc(Cn2c(C)cccc2=O)nc2sccc12
InChIInChI=1S/C15H16N4OS/c1-3-16-14-11-7-8-21-15(11)18-12(17-14)9-19-10(2)5-4-6-13(19)20/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyJVTRDSISXKAKST-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.64
Rot. Bonds4

About 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one

1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one (PubChem CID 62193274) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one
PubChem CID62193274
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one
SMILESCCNc1nc(Cn2c(C)cccc2=O)nc2sccc12
InChIInChI=1S/C15H16N4OS/c1-3-16-14-11-7-8-21-15(11)18-12(17-14)9-19-10(2)5-4-6-13(19)20/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyJVTRDSISXKAKST-UHFFFAOYSA-N
XLogP2.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one
CID 62848745
2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1H-pyridazine-3,6-dione
CID 62208500
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62193818
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 104960510
4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one
CID 63606336
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184565

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one (CID 62193274) is 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one is CCNc1nc(Cn2c(C)cccc2=O)nc2sccc12.
What is the InChIKey of 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one?
The InChIKey is JVTRDSISXKAKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-16-14-11-7-8-21-15(11)18-12(17-14)9-19-10(2)5-4-6-13(19)20/h4-8H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one?
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one has a molecular weight of 300.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 62193274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).