4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C22H28N6O3S2 — CID 143690144

IUPAC4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3sc(CN4CCN(S(C)=O)CC4)cc3n2)cn1
InChIInChI=1S/C22H28N6O3S2/c1-30-19-4-3-16(14-23-19)21-24-18-13-17(15-26-5-7-28(8-6-26)33(2)29)32-20(18)22(25-21)27-9-11-31-12-10-27/h3-4,13-14H,5-12,15H2,1-2H3
InChIKeyAFFKDQGRNMGHBX-UHFFFAOYSA-N
MW488.64 g/mol
LogP2.01
Rot. Bonds6

About 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 143690144) has the molecular formula C22H28N6O3S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID143690144
Molecular FormulaC22H28N6O3S2
Molecular Weight488.64 g/mol
Exact Mass488.17
IUPAC Name4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3sc(CN4CCN(S(C)=O)CC4)cc3n2)cn1
InChIInChI=1S/C22H28N6O3S2/c1-30-19-4-3-16(14-23-19)21-24-18-13-17(15-26-5-7-28(8-6-26)33(2)29)32-20(18)22(25-21)27-9-11-31-12-10-27/h3-4,13-14H,5-12,15H2,1-2H3
InChIKeyAFFKDQGRNMGHBX-UHFFFAOYSA-N
XLogP2.01
TPSA83.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

2-hydroxy-1-[4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propan-1-one
CID 66934024
(2S)-2-hydroxy-3-[4-[[2-[6-(methylamino)-3-pyridinyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanal
CID 87670243
sodium;hydride;N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 173472753
2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 66977938
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24947792
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58233954
4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]aniline
CID 46180663
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
5-[4-morpholin-4-yl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58234082
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
5-[6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58233915

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 143690144) is 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is COc1ccc(-c2nc(N3CCOCC3)c3sc(CN4CCN(S(C)=O)CC4)cc3n2)cn1.
What is the InChIKey of 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is AFFKDQGRNMGHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S2/c1-30-19-4-3-16(14-23-19)21-24-18-13-17(15-26-5-7-28(8-6-26)33(2)29)32-20(18)22(25-21)27-9-11-31-12-10-27/h3-4,13-14H,5-12,15H2,1-2H3.
What are the key properties of 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 488.64 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 143690144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).