[5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

C19H21N5O2S — CID 126467438

IUPAC[5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CNc2ncnc3sc(C(=O)N4CCOCC4)c(C)c23)n1
InChIInChI=1S/C19H21N5O2S/c1-12-4-3-5-14(23-12)10-20-17-15-13(2)16(27-18(15)22-11-21-17)19(25)24-6-8-26-9-7-24/h3-5,11H,6-10H2,1-2H3,(H,20,21,22)
InChIKeyMLUVUTHPPMDFBJ-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.79
Rot. Bonds4

About [5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

[5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (PubChem CID 126467438) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is [5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
PubChem CID126467438
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name[5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CNc2ncnc3sc(C(=O)N4CCOCC4)c(C)c23)n1
InChIInChI=1S/C19H21N5O2S/c1-12-4-3-5-14(23-12)10-20-17-15-13(2)16(27-18(15)22-11-21-17)19(25)24-6-8-26-9-7-24/h3-5,11H,6-10H2,1-2H3,(H,20,21,22)
InChIKeyMLUVUTHPPMDFBJ-UHFFFAOYSA-N
XLogP2.79
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 25109378
4-(7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)morpholine
CID 736554
6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-N,5-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3244926
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4162441
3-(Methylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16117434
3-(Cyclopropylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118817
3-(Dimethylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118818
3-(Ethylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118942
11-Methyl-4-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 22464564
13-(2-Methylprop-2-enylamino)-5-pyridin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54580945
9-(2-Methyl-allylamino)-3-p-tolyl-3H-thieno[2,3-d:4,5-d'']dipyrimidin-4-one
CID 54582002
9-(2-Methyl-allylamino)-3-phenyl-3H-thieno[2,3-d:4,5-d'']dipyrimidin-4-one
CID 54582003

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (CID 126467438) is [5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is Cc1cccc(CNc2ncnc3sc(C(=O)N4CCOCC4)c(C)c23)n1.
What is the InChIKey of [5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is MLUVUTHPPMDFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-4-3-5-14(23-12)10-20-17-15-13(2)16(27-18(15)22-11-21-17)19(25)24-6-8-26-9-7-24/h3-5,11H,6-10H2,1-2H3,(H,20,21,22).
What are the key properties of [5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
[5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 383.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 126467438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).