2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one

C19H25N5OS — CID 24578446

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one
SMILESCc1cc(N)nc(SC(C)C(=O)N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N5OS/c1-14-12-17(20)22-19(21-14)26-15(2)18(25)24-10-8-23(9-11-24)13-16-6-4-3-5-7-16/h3-7,12,15H,8-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyRRBSTZLGXQLLFF-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one (PubChem CID 24578446) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one
PubChem CID24578446
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one
SMILESCc1cc(N)nc(SC(C)C(=O)N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N5OS/c1-14-12-17(20)22-19(21-14)26-15(2)18(25)24-10-8-23(9-11-24)13-16-6-4-3-5-7-16/h3-7,12,15H,8-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyRRBSTZLGXQLLFF-UHFFFAOYSA-N
XLogP2.19
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one (CID 24578446) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one is Cc1cc(N)nc(SC(C)C(=O)N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one?
The InChIKey is RRBSTZLGXQLLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-14-12-17(20)22-19(21-14)26-15(2)18(25)24-10-8-23(9-11-24)13-16-6-4-3-5-7-16/h3-7,12,15H,8-11,13H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one has a molecular weight of 371.51 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 24578446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).