4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine

C15H17N5S — CID 24825897

IUPAC4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine
SMILESCN1CCN(c2nc(N)nc3c2sc2ccccc23)CC1
InChIInChI=1S/C15H17N5S/c1-19-6-8-20(9-7-19)14-13-12(17-15(16)18-14)10-4-2-3-5-11(10)21-13/h2-5H,6-9H2,1H3,(H2,16,17,18)
InChIKeyNGLIOUHVZSPUTI-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.18
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine (PubChem CID 24825897) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine
PubChem CID24825897
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine
SMILESCN1CCN(c2nc(N)nc3c2sc2ccccc23)CC1
InChIInChI=1S/C15H17N5S/c1-19-6-8-20(9-7-19)14-13-12(17-15(16)18-14)10-4-2-3-5-11(10)21-13/h2-5H,6-9H2,1H3,(H2,16,17,18)
InChIKeyNGLIOUHVZSPUTI-UHFFFAOYSA-N
XLogP2.18
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine (CID 24825897) is 4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine is CN1CCN(c2nc(N)nc3c2sc2ccccc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine?
The InChIKey is NGLIOUHVZSPUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-19-6-8-20(9-7-19)14-13-12(17-15(16)18-14)10-4-2-3-5-11(10)21-13/h2-5H,6-9H2,1H3,(H2,16,17,18).
What are the key properties of 4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24825897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).