2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride

C19H26ClN7S — CID 120871384

IUPAC2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1nc(N)c2c3c(sc2n1)CCCC3
InChIInChI=1S/C19H25N7S.ClH/c1-25-8-7-22-18(25)13-10-21-6-9-26(13)11-15-23-17(20)16-12-4-2-3-5-14(12)27-19(16)24-15;/h7-8,13,21H,2-6,9-11H2,1H3,(H2,20,23,24);1H
InChIKeyJLGOGJHGHVUSNK-UHFFFAOYSA-N
MW419.99 g/mol
LogP2.45
Rot. Bonds3

About 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 120871384) has the molecular formula C19H26ClN7S and a molecular weight of 419.99 g/mol. Its IUPAC name is 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID120871384
Molecular FormulaC19H26ClN7S
Molecular Weight419.99 g/mol
Exact Mass419.17
IUPAC Name2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1nc(N)c2c3c(sc2n1)CCCC3
InChIInChI=1S/C19H25N7S.ClH/c1-25-8-7-22-18(25)13-10-21-6-9-26(13)11-15-23-17(20)16-12-4-2-3-5-14(12)27-19(16)24-15;/h7-8,13,21H,2-6,9-11H2,1H3,(H2,20,23,24);1H
InChIKeyJLGOGJHGHVUSNK-UHFFFAOYSA-N
XLogP2.45
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.99
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride with MolForge

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Related Compounds

2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 18124402
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride
CID 120911881
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912485
6-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyridin-3-ol;hydrochloride
CID 120911711
N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120912459
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
CID 120869704

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 120871384) is 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1nc(N)c2c3c(sc2n1)CCCC3.
What is the InChIKey of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is JLGOGJHGHVUSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7S.ClH/c1-25-8-7-22-18(25)13-10-21-6-9-26(13)11-15-23-17(20)16-12-4-2-3-5-14(12)27-19(16)24-15;/h7-8,13,21H,2-6,9-11H2,1H3,(H2,20,23,24);1H.
What are the key properties of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride?
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 419.99 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 120871384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).