2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide

C23H22N6O4S — CID 146656493

IUPAC2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide
SMILESNC(=O)CNc1ccnc(Nc2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc2)n1
InChIInChI=1S/C23H22N6O4S/c24-18(31)12-26-19-5-6-25-23(28-19)27-15-3-1-14(2-4-15)16-13-34-22-17(30)11-20(33-21(16)22)29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H2,24,31)(H2,25,26,27,28)
InChIKeyPKPJWNDPUZPADJ-UHFFFAOYSA-N
MW478.53 g/mol
LogP2.79
Rot. Bonds7

About 2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide

2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide (PubChem CID 146656493) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is 2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide
PubChem CID146656493
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC Name2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide
SMILESNC(=O)CNc1ccnc(Nc2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc2)n1
InChIInChI=1S/C23H22N6O4S/c24-18(31)12-26-19-5-6-25-23(28-19)27-15-3-1-14(2-4-15)16-13-34-22-17(30)11-20(33-21(16)22)29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H2,24,31)(H2,25,26,27,28)
InChIKeyPKPJWNDPUZPADJ-UHFFFAOYSA-N
XLogP2.79
TPSA135.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetate
CID 157160803
3-methyl-N-[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]butanamide
CID 158638225
5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one
CID 158740173
3-[4-[[4-[2-hydroxyethyl(propyl)amino]pyrimidin-2-yl]amino]phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 167596376
3-[4-[[4-[3-methyl-4-(3-methylsulfonylpropyl)pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 167634489
3-[4-[[4-[4-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 157069166
N-hydroxy-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
CID 118547303
5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
CID 157029185
2-chloro-2-fluoro-N-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]acetamide
CID 146320046
7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide
CID 167646331

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide (CID 146656493) is 2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide is NC(=O)CNc1ccnc(Nc2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc2)n1.
What is the InChIKey of 2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide?
The InChIKey is PKPJWNDPUZPADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c24-18(31)12-26-19-5-6-25-23(28-19)27-15-3-1-14(2-4-15)16-13-34-22-17(30)11-20(33-21(16)22)29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H2,24,31)(H2,25,26,27,28).
What are the key properties of 2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide?
2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide has a molecular weight of 478.53 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 146656493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).