3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

C22H25N7O2S — CID 170981645

IUPAC3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(CN3CCN(c4cnc5c(NC)nccc5c4)CC3)sc2c1=O
InChIInChI=1S/C22H25N7O2S/c1-3-29-21(30)19-17(26-22(29)31)11-16(32-19)13-27-6-8-28(9-7-27)15-10-14-4-5-24-20(23-2)18(14)25-12-15/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,23,24)(H,26,31)
InChIKeyIMNLHYYDCIRZFY-UHFFFAOYSA-N
MW451.56 g/mol
LogP2.08
Rot. Bonds5

About 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 170981645) has the molecular formula C22H25N7O2S and a molecular weight of 451.56 g/mol. Its IUPAC name is 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID170981645
Molecular FormulaC22H25N7O2S
Molecular Weight451.56 g/mol
Exact Mass451.18
IUPAC Name3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(CN3CCN(c4cnc5c(NC)nccc5c4)CC3)sc2c1=O
InChIInChI=1S/C22H25N7O2S/c1-3-29-21(30)19-17(26-22(29)31)11-16(32-19)13-27-6-8-28(9-7-27)15-10-14-4-5-24-20(23-2)18(14)25-12-15/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,23,24)(H,26,31)
InChIKeyIMNLHYYDCIRZFY-UHFFFAOYSA-N
XLogP2.08
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[4-[(6-ethyl-5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981491
7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 166082777
6-(chloromethyl)-3-ethyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 170981691
5-[4-[(6-ethyl-5,7-dioxo-4H-[1,3]oxazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981145
12-[(3-ethyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]-N-methyl-6-oxo-1,7,12-triazatricyclo[8.4.0.02,7]tetradeca-2,4-diene-5-carboxamide
CID 170981398
3-fluoro-N-methyl-4-[4-[(3-methyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]benzamide
CID 170981151
6-chloro-5-[4-[(3-ethyl-5-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169102585
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N,4-dimethyl-1,3-thiazole-2-carboxamide
CID 168900088
3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166082745
3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione
CID 169102538
5-[4-[(3-ethyl-5-methyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169102592
CID 175613289
CID 175613289

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 170981645) is 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c2cc(CN3CCN(c4cnc5c(NC)nccc5c4)CC3)sc2c1=O.
What is the InChIKey of 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is IMNLHYYDCIRZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S/c1-3-29-21(30)19-17(26-22(29)31)11-16(32-19)13-27-6-8-28(9-7-27)15-10-14-4-5-24-20(23-2)18(14)25-12-15/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,23,24)(H,26,31).
What are the key properties of 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 451.56 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 170981645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).