2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine

C15H17N5O2S — CID 14306142

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine
SMILESCOc1ccc2nc(S(=O)Cc3nccc(N(C)C)n3)[nH]c2c1
InChIInChI=1S/C15H17N5O2S/c1-20(2)14-6-7-16-13(19-14)9-23(21)15-17-11-5-4-10(22-3)8-12(11)18-15/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyXGMVOHOJFJDWKK-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.74
Rot. Bonds5

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 14306142) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine
PubChem CID14306142
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine
SMILESCOc1ccc2nc(S(=O)Cc3nccc(N(C)C)n3)[nH]c2c1
InChIInChI=1S/C15H17N5O2S/c1-20(2)14-6-7-16-13(19-14)9-23(21)15-17-11-5-4-10(22-3)8-12(11)18-15/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyXGMVOHOJFJDWKK-UHFFFAOYSA-N
XLogP1.74
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine (CID 14306142) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine is COc1ccc2nc(S(=O)Cc3nccc(N(C)C)n3)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is XGMVOHOJFJDWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-20(2)14-6-7-16-13(19-14)9-23(21)15-17-11-5-4-10(22-3)8-12(11)18-15/h4-8H,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 331.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 14306142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).