[2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone

C21H22N4O2S — CID 509567

IUPAC[2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone
SMILESCc1csc2ncnc(NC3Cc4ccc(C(=O)N5CCOCC5)cc4C3)c12
InChIInChI=1S/C21H22N4O2S/c1-13-11-28-20-18(13)19(22-12-23-20)24-17-9-14-2-3-15(8-16(14)10-17)21(26)25-4-6-27-7-5-25/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,22,23,24)
InChIKeyIDCRQTHLXZYHGT-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.05
Rot. Bonds3

About [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone

[2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone (PubChem CID 509567) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone
PubChem CID509567
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name[2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone
SMILESCc1csc2ncnc(NC3Cc4ccc(C(=O)N5CCOCC5)cc4C3)c12
InChIInChI=1S/C21H22N4O2S/c1-13-11-28-20-18(13)19(22-12-23-20)24-17-9-14-2-3-15(8-16(14)10-17)21(26)25-4-6-27-7-5-25/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,22,23,24)
InChIKeyIDCRQTHLXZYHGT-UHFFFAOYSA-N
XLogP3.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone (CID 509567) is [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone is Cc1csc2ncnc(NC3Cc4ccc(C(=O)N5CCOCC5)cc4C3)c12.
What is the InChIKey of [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone?
The InChIKey is IDCRQTHLXZYHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-13-11-28-20-18(13)19(22-12-23-20)24-17-9-14-2-3-15(8-16(14)10-17)21(26)25-4-6-27-7-5-25/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,22,23,24).
What are the key properties of [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone?
[2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone has a molecular weight of 394.50 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 509567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).