3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride

C21H26ClN5O2S — CID 67054453

IUPAC3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride
SMILESCl.Oc1cccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)c1
InChIInChI=1S/C21H25N5O2S.ClH/c27-16-3-1-2-15(12-16)20-23-18-13-17(14-25-6-4-22-5-7-25)29-19(18)21(24-20)26-8-10-28-11-9-26;/h1-3,12-13,22,27H,4-11,14H2;1H
InChIKeyRUGIVPGSBRCOGW-UHFFFAOYSA-N
MW447.99 g/mol
LogP2.73
Rot. Bonds4

About 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride

3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride (PubChem CID 67054453) has the molecular formula C21H26ClN5O2S and a molecular weight of 447.99 g/mol. Its IUPAC name is 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride
PubChem CID67054453
Molecular FormulaC21H26ClN5O2S
Molecular Weight447.99 g/mol
Exact Mass447.15
IUPAC Name3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride
SMILESCl.Oc1cccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)c1
InChIInChI=1S/C21H25N5O2S.ClH/c27-16-3-1-2-15(12-16)20-23-18-13-17(14-25-6-4-22-5-7-25)29-19(18)21(24-20)26-8-10-28-11-9-26;/h1-3,12-13,22,27H,4-11,14H2;1H
InChIKeyRUGIVPGSBRCOGW-UHFFFAOYSA-N
XLogP2.73
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride with MolForge

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Related Compounds

3-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11496178
1-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-ol;4-methylmorpholine
CID 69395746
3-[6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11690718
5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyridine-3-carbonitrile
CID 66934265
2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol
CID 66934280
N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide
CID 58441410
3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 69409597
3-[6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11619051
4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937384
4-[2-(6-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937383
4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24947792
3-(6-morpholin-4-yl-8-thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-4-yl)phenol
CID 56838481

Frequently Asked Questions

What is the IUPAC name of 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride?
The IUPAC name of 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride (CID 67054453) is 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride?
The canonical SMILES for 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride is Cl.Oc1cccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)c1.
What is the InChIKey of 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride?
The InChIKey is RUGIVPGSBRCOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S.ClH/c27-16-3-1-2-15(12-16)20-23-18-13-17(14-25-6-4-22-5-7-25)29-19(18)21(24-20)26-8-10-28-11-9-26;/h1-3,12-13,22,27H,4-11,14H2;1H.
What are the key properties of 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride?
3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride has a molecular weight of 447.99 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 67054453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).