3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide

C23H23N5O2S — CID 133279193

IUPAC3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCOCc1nc(NCCC(=O)Nc2cccc(C)n2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H23N5O2S/c1-15-7-6-10-18(25-15)26-20(29)11-12-24-22-21-17(16-8-4-3-5-9-16)14-31-23(21)28-19(27-22)13-30-2/h3-10,14H,11-13H2,1-2H3,(H,24,27,28)(H,25,26,29)
InChIKeyQMNCGTSAFKVCSZ-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.65
Rot. Bonds8

About 3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide

3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 133279193) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID133279193
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCOCc1nc(NCCC(=O)Nc2cccc(C)n2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H23N5O2S/c1-15-7-6-10-18(25-15)26-20(29)11-12-24-22-21-17(16-8-4-3-5-9-16)14-31-23(21)28-19(27-22)13-30-2/h3-10,14H,11-13H2,1-2H3,(H,24,27,28)(H,25,26,29)
InChIKeyQMNCGTSAFKVCSZ-UHFFFAOYSA-N
XLogP4.65
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279130
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 133278970
2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
CID 133278882
2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
2-(methoxymethyl)-N-(1-methylsulfanylpropan-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133311829
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 133278690
1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133278968
methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 4963724
2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278781

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide (CID 133279193) is 3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide is COCc1nc(NCCC(=O)Nc2cccc(C)n2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is QMNCGTSAFKVCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-15-7-6-10-18(25-15)26-20(29)11-12-24-22-21-17(16-8-4-3-5-9-16)14-31-23(21)28-19(27-22)13-30-2/h3-10,14H,11-13H2,1-2H3,(H,24,27,28)(H,25,26,29).
What are the key properties of 3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide?
3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 433.54 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 133279193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).