2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C19H22N4S2 — CID 18124402

IUPAC2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CN2CCCC2c2cccs2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C19H22N4S2/c20-18-17-12-5-1-2-7-14(12)25-19(17)22-16(21-18)11-23-9-3-6-13(23)15-8-4-10-24-15/h4,8,10,13H,1-3,5-7,9,11H2,(H2,20,21,22)
InChIKeySOBABHSOVQFVGS-UHFFFAOYSA-N
MW370.55 g/mol
LogP4.55
Rot. Bonds3

About 2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 18124402) has the molecular formula C19H22N4S2 and a molecular weight of 370.55 g/mol. Its IUPAC name is 2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID18124402
Molecular FormulaC19H22N4S2
Molecular Weight370.55 g/mol
Exact Mass370.13
IUPAC Name2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CN2CCCC2c2cccs2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C19H22N4S2/c20-18-17-12-5-1-2-7-14(12)25-19(17)22-16(21-18)11-23-9-3-6-13(23)15-8-4-10-24-15/h4,8,10,13H,1-3,5-7,9,11H2,(H2,20,21,22)
InChIKeySOBABHSOVQFVGS-UHFFFAOYSA-N
XLogP4.55
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 43027824
2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 120774262
[3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750622
[3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750621
4-[4-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]benzamide
CID 86969672
2-[4-[(3-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-5-yl)methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 34708214
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241
(3-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-5-yl)methyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701352
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 17454913
2-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 14639127
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylazepane
CID 46366576

Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 18124402) is 2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is Nc1nc(CN2CCCC2c2cccs2)nc2sc3c(c12)CCCC3.
What is the InChIKey of 2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SOBABHSOVQFVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S2/c20-18-17-12-5-1-2-7-14(12)25-19(17)22-16(21-18)11-23-9-3-6-13(23)15-8-4-10-24-15/h4,8,10,13H,1-3,5-7,9,11H2,(H2,20,21,22).
What are the key properties of 2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 370.55 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18124402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).