6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine

C19H17N5O2S2 — CID 157358243

IUPAC6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine
SMILESCOCCS(=O)c1sc2nc(-c3ncccn3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H17N5O2S2/c1-26-10-11-28(25)19-14(20)13-15(12-6-3-2-4-7-12)23-17(24-18(13)27-19)16-21-8-5-9-22-16/h2-9H,10-11,20H2,1H3
InChIKeyXTLKIPIALMIRAM-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.15
Rot. Bonds6

About 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine

6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine (PubChem CID 157358243) has the molecular formula C19H17N5O2S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine
PubChem CID157358243
Molecular FormulaC19H17N5O2S2
Molecular Weight411.51 g/mol
Exact Mass411.08
IUPAC Name6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine
SMILESCOCCS(=O)c1sc2nc(-c3ncccn3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H17N5O2S2/c1-26-10-11-28(25)19-14(20)13-15(12-6-3-2-4-7-12)23-17(24-18(13)27-19)16-21-8-5-9-22-16/h2-9H,10-11,20H2,1H3
InChIKeyXTLKIPIALMIRAM-UHFFFAOYSA-N
XLogP3.15
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine with MolForge

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Related Compounds

2-[5-[4-[5-amino-6-[(S)-butylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl]phenyl]-3-pyridinyl]-6-[(R)-2-methoxyethylsulfinyl]-4-phenylthieno[2,3-d]pyrimidin-5-amine
CID 142485919
6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine
CID 90051604
6-(2-aminopyrimidin-5-yl)-2-[(S)-3-methoxypropylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-[(S)-3-methoxypropylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-[(R)-3-methoxypropylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 158653266
6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 142485744
2-(2-aminopyrimidin-5-yl)-6-(2-methoxyethylsulfinyl)-4-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-5-amine
CID 167341551
6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 167341459
2-[[5-[3-amino-2-(2-methoxyethylsulfinyl)-4-phenylthieno[2,3-b]pyridin-6-yl]pyrimidin-2-yl]amino]ethanol
CID 167341638
2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 159992296
6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 135388076
6-[2-[3-[5-amino-4-cyclopropyl-6-(2-methoxyethylsulfinyl)thieno[2,3-d]pyrimidin-2-yl]pyridin-1-ium-1-yl]cyclobutyl]sulfinyl-4-cyclopropyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 153009835
6-(2-aminopyrimidin-5-yl)-2-[(R)-2-methoxyethylsulfinyl]-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridin-3-amine
CID 176759636
4-(4-fluorophenyl)-2-(2-methoxyethylsulfinyl)-6-[6-(oxetan-3-yl)-3-pyridinyl]thieno[2,3-b]pyridin-3-amine
CID 142485887

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine (CID 157358243) is 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine is COCCS(=O)c1sc2nc(-c3ncccn3)nc(-c3ccccc3)c2c1N.
What is the InChIKey of 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine?
The InChIKey is XTLKIPIALMIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S2/c1-26-10-11-28(25)19-14(20)13-15(12-6-3-2-4-7-12)23-17(24-18(13)27-19)16-21-8-5-9-22-16/h2-9H,10-11,20H2,1H3.
What are the key properties of 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine?
6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine has a molecular weight of 411.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 157358243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).