[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone

C20H29N5O2S — CID 45230677

IUPAC[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCCC(C)C2)sc2ncnc(NCCN3CCOCC3)c12
InChIInChI=1S/C20H29N5O2S/c1-14-4-3-6-25(12-14)20(26)17-15(2)16-18(22-13-23-19(16)28-17)21-5-7-24-8-10-27-11-9-24/h13-14H,3-12H2,1-2H3,(H,21,22,23)
InChIKeyRRLIHFSGTBZWTN-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.62
Rot. Bonds5

About [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone

[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 45230677) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID45230677
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC Name[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCCC(C)C2)sc2ncnc(NCCN3CCOCC3)c12
InChIInChI=1S/C20H29N5O2S/c1-14-4-3-6-25(12-14)20(26)17-15(2)16-18(22-13-23-19(16)28-17)21-5-7-24-8-10-27-11-9-24/h13-14H,3-12H2,1-2H3,(H,21,22,23)
InChIKeyRRLIHFSGTBZWTN-UHFFFAOYSA-N
XLogP2.62
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone (CID 45230677) is [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone is Cc1c(C(=O)N2CCCC(C)C2)sc2ncnc(NCCN3CCOCC3)c12.
What is the InChIKey of [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is RRLIHFSGTBZWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S/c1-14-4-3-6-25(12-14)20(26)17-15(2)16-18(22-13-23-19(16)28-17)21-5-7-24-8-10-27-11-9-24/h13-14H,3-12H2,1-2H3,(H,21,22,23).
What are the key properties of [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 403.55 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 45230677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).