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

C19H27N5O2S — CID 28953252

IUPAC[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)sc2ncnc(NCCN3CCOCC3)c12
InChIInChI=1S/C19H27N5O2S/c1-14-15-17(20-5-8-23-9-11-26-12-10-23)21-13-22-18(15)27-16(14)19(25)24-6-3-2-4-7-24/h13H,2-12H2,1H3,(H,20,21,22)
InChIKeyLNNGSFRCAPBJFG-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.37
Rot. Bonds5

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

[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone (PubChem CID 28953252) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
PubChem CID28953252
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)sc2ncnc(NCCN3CCOCC3)c12
InChIInChI=1S/C19H27N5O2S/c1-14-15-17(20-5-8-23-9-11-26-12-10-23)21-13-22-18(15)27-16(14)19(25)24-6-3-2-4-7-24/h13H,2-12H2,1H3,(H,20,21,22)
InChIKeyLNNGSFRCAPBJFG-UHFFFAOYSA-N
XLogP2.37
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 45230677
[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 42327099
[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 42397338
N-cyclopropyl-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 29088094
[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 45251545
azepan-1-yl-[4-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 26279444
azepan-1-yl-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617227
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
CID 31043286
azocan-1-yl-[4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 26398498
[4-(2-hydroxyethyl)piperazin-1-yl]-[5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 118755271
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 42346611
1-[3-[[6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 42344329

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone (CID 28953252) is [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone is Cc1c(C(=O)N2CCCCC2)sc2ncnc(NCCN3CCOCC3)c12.
What is the InChIKey of [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is LNNGSFRCAPBJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-14-15-17(20-5-8-23-9-11-26-12-10-23)21-13-22-18(15)27-16(14)19(25)24-6-3-2-4-7-24/h13H,2-12H2,1H3,(H,20,21,22).
What are the key properties of [5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 389.53 g/mol, XLogP of 2.37, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 28953252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).