1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

C15H20N4OS — CID 2576098

IUPAC1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1sc2ncnc(NCCCN3CCCC3=O)c2c1C
InChIInChI=1S/C15H20N4OS/c1-10-11(2)21-15-13(10)14(17-9-18-15)16-6-4-8-19-7-3-5-12(19)20/h9H,3-8H2,1-2H3,(H,16,17,18)
InChIKeySEBLKXJVKCMRHF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.73
Rot. Bonds5

About 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 2576098) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID2576098
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1sc2ncnc(NCCCN3CCCC3=O)c2c1C
InChIInChI=1S/C15H20N4OS/c1-10-11(2)21-15-13(10)14(17-9-18-15)16-6-4-8-19-7-3-5-12(19)20/h9H,3-8H2,1-2H3,(H,16,17,18)
InChIKeySEBLKXJVKCMRHF-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-Dimethylthieno(2,3-d)pyrimidin-4-amine
CID 290232
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 859560
N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 862674
2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)-N,N-diethylacetamide
CID 865962
2-[[4-(ethylamino)-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl]sulfanyl]acetamide
CID 2817154
N-Cyclopropyl-2-(2-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 3218956
N-cyclopentyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16316041
5,6-Dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 677414
2-(5,6-Dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)acetamide
CID 709440
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 862676
1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one
CID 49788366
1-[3-[[(1R)-1-phenylpropyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one
CID 49788425

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 2576098) is 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is Cc1sc2ncnc(NCCCN3CCCC3=O)c2c1C.
What is the InChIKey of 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is SEBLKXJVKCMRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-11(2)21-15-13(10)14(17-9-18-15)16-6-4-8-19-7-3-5-12(19)20/h9H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 304.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 2576098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).