4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine

C17H19N5O3S — CID 58137176

IUPAC4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19)
InChIKeyFQGJJMJBPHPEQO-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.40
Rot. Bonds4

About 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine

4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine (PubChem CID 58137176) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
PubChem CID58137176
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19)
InChIKeyFQGJJMJBPHPEQO-UHFFFAOYSA-N
XLogP1.40
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine 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 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine (CID 58137176) is 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine is CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
The InChIKey is FQGJJMJBPHPEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19).
What are the key properties of 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine?
4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine has a molecular weight of 373.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3H-benzimidazol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).